bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct‐acting antiviral therapy for chronic hepatitis C among incarcerated people who inject drugs
Authors: Mao Yuan‐Chih , Chen I‐I , Mo Lein‐Ray 
Published: August 2022

AbstractHepatitis C virus (HCV) infection is an important public health problem, causing significant morbidity and mortality worldwide. The prevalence of HCV infections is especially high among people who inject drugs (PWID). The efficacy of direct‐acting antiviral (DAA) therapy was evaluated herein. During 2019‐2021, a total of 321 cases who received a full course of DAA therapy and completed a 12‐week follow‐up observation were studied. The most frequent genotype (GT) was GT6 (34.9%), followed by GT1a (23.4%), GT1b (14.6%), GT2 (12.1%), and GT3 (11.8%). Increase was observed in GT6 (from 29.8% in 2019 to 44.9% in 2021) and GT3 (from 9.9% in 2019 to 16.3% in 2021) over the study years. GT2 was more likely found in patients >50 years old, while GT3 was more in younger patients (both P < .05). GT3 was also more frequently associated with moderate scores of fibrosis‐4 index (FIB‐4) (1.45 ≤ FIB‐4 ≤ 3.25, 13/38 vs 49/283; P < .05). High viral loads (>1 500 000 IU/mL) were found in 65.7% of the patients, including 21.5% showing a very high level (>6 000 000 IU/mL). Compared to other genotypes, viral loads were significantly higher in GT6 (P < .005) and lower in GT1b (P < .01). The end of treatment virologic response rate and the sustained virologic response rate at 12 weeks (SVR12) post‐treatment were both 100%. Two recurrent infections with GT6 and GT2 were noted at 16‐month and 3‐month, respectively, after achieving SVR12. The present report provides a solid evidence for the effectiveness of DAA therapy in the treatment of hepatitis C among incarcerated PWID. We believe that appropriate DAA therapy, when incorporated with active universal screening, can achieve micro‐elimination of chronic hepatitis C in incarcerated persons. Hence, the strategies should be applied to all custodial settings, especially for PWID, as an important step to eliminate hepatitis C by 2025, a goal set by the Taiwan government.
An adult choledochocele case presenting with unexplained biliary colic: Awareness of endoscopic feature is important
Authors: Chen Yi‐Peng , Liao Yi‐Jun , Peng Yen‐Chun , Tung Chun‐Fang , Chen Chia‐Chang 
Published: August 2022

AbstractType III choledochal cyst (choledochocele) is a rare disease. Therefore, some endoscopists are not familiar with the clinical feature of choledochocele. We present a choledochocele case that was difficult to diagnosed until endoscopic retrograde cholangiopancreatography was performed. A 46‐year‐old Taiwanese gentleman had unexplained biliary colic pain with negative findings of physical examination and normal laboratory tests. Magnetic resonance cholangiopancreatography and endoscopic ultrasonography showed dilation of common bile duct (CBD) about 1.8 cm without choledocholithiasis and a cystic lesion at distal CBD about 0.9 cm. The endoscopy showed a cystic‐like bulging structure above the ampullary orifice. Cholangiography showed cystic enlargement of the intramural bile duct superior to the ampullary orifice after contrast injection. Choledochocele was proved. We performed papillotomy and biopsy of the papilla. Awareness of the endoscopic feature and management strategy of choledochoele is important, which is illustrated in this case report.
A Long‐Circulating Vector for Aptamers Based upon Polyphosphodiester‐Backboned Molecular Brushes
Authors: Wang Yuyan , Wang Dali , Lin Jiachen , Lyu Zidi , Chen Peiru , Sun Tingyu , Xue Chenyang , Mojtabavi Mehrnaz , Vedadghavami Armin , Zhang Zheyu , Wang Ruimeng , Zhang Lei , Park Christopher , Heo Gyu Seong , Liu Yongjian , Dong Sijia S. , Zhang Ke 
Published: August 2022

AbstractAptamers face challenges for use outside the ideal conditions in which they are developed. These difficulties are most palpable in vivo due to nuclease activities, rapid clearance, and off‐target binding. Herein, we demonstrate that a polyphosphodiester‐backboned molecular brush can suppress enzymatic digestion, reduce non‐specific cell uptake, enable long blood circulation, and rescue the bioactivity of a conjugated aptamer in vivo. The backbone along with the aptamer is assembled via solid‐phase synthesis, followed by installation of poly(ethylene glycol) (PEG) side chains using a two‐step process with near‐quantitative efficiency. The synthesis allows for precise control over polymer size and architecture. Consisting entirely of building blocks that are generally recognized as safe for therapeutics, this novel molecular brush is expected to provide a highly translatable route for aptamer‐based therapeutics.
Halogen Atom Participation in Guiding the Stereochemical Outcomes of Acetal Substitution Reactions
Authors: Demkiw Krystyna M. , Remmerswaal Wouter A. , Hansen Thomas , van der Marel Gijsbert A. , Codée Jeroen D. C. , Woerpel K. A. 
Published: August 2022

AbstractAcetal substitution reactions of α‐halogenated five‐ and six‐membered rings can be highly stereoselective. Erosion of stereoselectivity occurs as nucleophilicity increases, which is consistent with additions to a halogen‐stabilized oxocarbenium ion, not a three‐membered‐ring halonium ion. Computational investigations confirmed that the open‐form oxocarbenium ions are the reactive intermediates involved. Kinetic studies suggest that hyperconjugative effects and through‐space electrostatic interactions can both contribute to the stabilization of halogen‐substituted oxocarbenium ions.
Self‐Assembled Aza‐Boron‐Dipyrromethene for Ferroptosis‐Boosted Sonodynamic Therapy
Authors: You Changwen , Li Xingguang , Wang Dongqiong , Chen Hongzhong , Liang Lei , Chen Yu , Zhao Yanli , Xiang Huijing 
Published: August 2022

AbstractThe presence of apoptosis inhibition proteins renders the cancer cells resistant to apoptosis, severely compromising the antitumor efficacy of sonodynamic therapy (SDT). Here, an intelligent anticancer nanoplatform based on an Aza‐boron‐dipyrromethene dye (denoted as Aza‐BDY) is elaborately established for ferroptosis augmented SDT through cysteine (Cys) starvation. After endocytosis by tumor cells, Aza‐BDY serves as both a ferroptosis inducing agent and a sonosensitizer for tumor treatment. The specific Cys response facilitates the disruption of redox homeostasis and initiation of cellular ferroptosis. Meanwhile, the released sonosensitizer causes efficient SDT and augments ferroptosis under ultrasound irradiation. Detailed in vitro and in vivo investigations demonstrate that the synergistic effect of Cys depletion and singlet oxygen (1O2) generation significantly induces cancer‐cell death and suppresses tumor proliferation with a high inhibition rate of 97.5 %.
In‐Situ‐Analyse Anionischer Koordinationspolymerisationen durch Elektrosprayionisations‐Massenspektrometrie
Authors: Kreyenschmidt Friedrich , Eisele Niklas F. , Hevelke Valentin , Rahrt Rene , Kreyenschmidt Anne‐Kathrin , Koszinowski Konrad 
Published: August 2022

AbstractAnionische Koordinationspolymerisationen verlaufen über hochreaktive Zwischenstufen, deren in situ‐Analyse schwierig bleibt. Hier zeigen wir, dass Elektrosprayionisations‐Massenspektrometrie eine vielversprechende Methode ist, um detaillierte Informationen über den Polymerisationsprozess zu erhalten. Für die durch CoCl2/RLi (R=Me, nBu, tBu, Ph) initiierte Polymerisation von 1,3‐Dienen initiiert beobachten wir die wachsenden Ketten direkt und charakterisieren die aktiven Cobalt‐Zentren durch Fragmentierungsexperimente in der Gasphase. Darauf basierend schlagen wir einen möglichen Mechanismus für die Polymerisation vor. Die ESI‐Massenspektren erlauben zudem die Bestimmung der Molmassenverteilung, welche mit denen aus NMR‐Messungen und MALDI‐Massenspektrometrie gut übereinstimmen, und liefern eine Vielzahl an kinetischen Daten.
Crystalline Porous Organic Salt for Ultrarapid Adsorption/Desorption‐Based Atmospheric Water Harvesting by Dual Hydrogen Bond System
Authors: Zhang Shuai , Fu Jingru , Das Saikat , Ye Kaiqi , Zhu Weidong , Ben Teng 
Published: August 2022

AbstractIn recent years, the porous sorbent‐assisted atmospheric water harvesting (AWH) method has emerged as an effective approach for solving water crises without geographical restrictions. However, there is a limited array of porous adsorbent materials that can be used for AWH, which are inadequate to meet the needs under different climatic conditions. In light of this, herein, we synthesize a new crystalline porous organic salt (CPOS; denoted as CPOS‐6) possessing a dual hydrogen bond system and verify its applicability toward AWH for the first time. Unlike other reported CPOSs, CPOS‐6 displays an S‐shaped water sorption isotherm owing to the presence of the dual hydrogen bond system. Under simulated drought conditions in Xinjiang Uygur Autonomous Region, CPOS‐6 exhibits long‐term water adsorption‐desorption cycling stability, low water desorption temperature, and ultrarapid adsorption‐desorption kinetics. The results confirm that CPOS‐6 is an effective sorbent material for AWH.
In‐Situ Analysis of Anionic Coordination Polymerizations by Electrospray‐Ionization Mass Spectrometry
Authors: Kreyenschmidt Friedrich , Eisele Niklas F. , Hevelke Valentin , Rahrt Rene , Kreyenschmidt Anne‐Kathrin , Koszinowski Konrad 
Published: August 2022

AbstractAnionic coordination polymerizations proceed via highly reactive intermediates, whose in situ analysis has remained difficult. Here, we show that electrospray‐ionization mass spectrometry is a promising method to obtain detailed information on the polymerization process. Focusing on polymerization reactions of 1,3‐dienes initiated by CoCl2/RLi (R=Me, nBu, tBu, Ph), we directly observe the growing polymer chains and characterize the active anionic cobalt centers by gas‐phase fragmentation experiments. On the basis of these results, we suggest a plausible mechanism for the polymerization reaction. Moreover, the ESI mass spectra permit the determination of molecular weight distributions, which are in good agreement with those derived from NMR‐spectroscopic as well as MALDI mass‐spectrometric measurements, and afford a wealth of kinetic data.
Missing‐linker Defects in Covalent Organic Framework Membranes for Efficient CO2 Separation
Authors: Guo Zheyuan , Wu Hong , Chen Yu , Zhu Shiyi , Jiang Haifei , Song Shuqing , Ren Yanxiong , Wang Yuhan , Liang Xu , He Guangwei , Li Yonghong , Jiang Zhongyi 
Published: August 2022

AbstractCovalent organic framework (COF) membranes with tunable ordered channels and free organic groups hold great promise in molecular separations owing to the synergy of physical and chemical microenvironments. Herein, we develop a defect engineering strategy to fabricate COF membranes for efficient CO2 separation. Abundant amino groups are in situ generated on the COF nanosheets arising from the missing‐linker defects during the reactive assembly of amine monomer and mixed aldehyde monomers. The COF nanosheets are assembled to fabricate COF membranes. Amino groups, as the CO2 facilitated transport carriers, along with ordered channels endow COF membrane with high CO2 permeances exceeding 300 GPU and excellent separation selectivity of 80 for CO2/N2, and 54 for CO2/CH4 mixed gas under humidified state. Our defect engineering strategy offers a facile approach to generating free organic functional groups in COF membranes and other organic framework membranes for diverse chemical separations.
Closed Aromatic Tubes—Capsularenes
Authors: Pavlović Radoslav Z. , Zhiquan Lei , Finnegan Tyler J. , Waudby Christopher A. , Wang Xiuze , Gunawardana Vageesha W. Liyana , Zhu Xingrong , Wong Curt M. , Hamby Taylor , Moore Curtis E. , Hoefer Nicole , McComb David W. , Sevov Christo S. , Badjić Jovica D. 
Published: August 2022

AbstractIn this study, we describe a synthetic method for incorporating arenes into closed tubes that we name capsularenes. First, we prepared vase‐shaped molecular baskets 4–7. The baskets comprise a benzene base fused to three bicycle[2.2.1]heptane rings that extend into phthalimide (4), naphthalimide (6), and anthraceneimide sides (7), each carrying a dimethoxyethane acetal group. In the presence of catalytic trifluoroacetic acid (TFA), the acetals at top of 4, 6 and 7 change into aliphatic aldehydes followed by their intramolecular cyclization into 1,3,5‐trioxane (1H NMR spectroscopy). Such ring closure is nearly a quantitative process that furnishes differently sized capsularenes 1 (0.7×0.9 nm), 8 (0.7×1.1 nm;) and 9 (0.7×1.4 nm;) characterized by X‐Ray crystallography, microcrystal electron diffraction, UV/Vis, fluorescence, cyclic voltammetry, and thermogravimetry. With exceptional rigidity, unique topology, great thermal stability, and perhaps tuneable optoelectronic characteristics, capsularenes hold promise for the construction of novel organic electronic devices.
Dynamic Grafting of Carboxylates onto Poly(Vinyl Alcohol) Polymers for Supramolecularly‐Crosslinked Hydrogel Formation
Authors: Wong Joey Hui Min , Ting Tan Rebekah Pei , Chang Jun Jie , Ow Valerie , Yew Pek Yin Michelle , Chee Pei Lin , Kai Dan , Loh Xian Jun , Xue Kun 
Published: August 2022

AbstractSupramolecular hydrogels have attracted considerable interest due to their unique stimuli‐responsive and self‐healing properties. However, these hydrogel systems are usually achieved by covalent grafting of supramolecular units onto the polymer backbone, which in turn limits their reprocessability. Herein, we prepared a supramolecular hydrogel system by forming dynamic covalent crosslinks between 4‐carboxyphenylboronic acid (CPBA) and polyvinyl alcohol (PVA). The system was then further crosslinked with either calcium ions or branched polyethylenimine (PEI) to generate hydrogels with distinctly different properties. Incorporation of calcium ions resulted in the formation of hydrogels with higher storage modulus of 7290 Pa but without self‐healing properties. On the other hand, PEI‐crosslinked hydrogel (PVA‐CPBA‐PEI) exhibited >2000% critical strain value, demonstrated high stability over 52 days and showed sustained antibacterial effect. A combination of supramolecular interactions and dynamic covalent crosslinks can be an alternate strategy to fabricate next‐generation hydrogel materials.
Microenvironment Modulation in Carbon‐Supported Single‐Atom Catalysts for Efficient Electrocatalytic CO2 Reduction
Authors: Song Pengyu , Zhu Pan , Su Xiaoran , Hou Mengyun , Zhao Di , Zhang Jiatao 
Published: August 2022

AbstractThe electrocatalytic CO2 reduction reaction (ECRR) becomes an effective way to reduce excess CO2 in the air and a promising strategy to maintain carbon balance. Carbon‐supported single‐atom catalysts (C‐SACs) is a kind of cost savings and most promising catalysts for ECRR. For C‐SACs, the key to achieving efficient ECRR performance is to adjusting the electronic structure of the central metal atoms by modulating their microenvironment of the catalysts. Not only the coordination numbers and hetero‐atom coordination, but also the regulation of diatomic sites have a great influence on the performance of C‐SACs. This review mainly focuses on recent studies for the microenvironment modulation in C‐SACs for efficient ECRR. We hope that this review can contribute readers a comprehensive insight in the current research status of C‐SACs for ECRR, as well as provide help for the rational design of C‐SACs with better ECRR performance.
Hierarchical optimal designs and modeling for engineering: A case‐study in the rail sector
Authors: Berni Rossella , Cantone Luciano , Magrini Alessandro , Nikiforova Nedka D. 
Published: August 2022

AbstractComplex engineering and technological processes typically generate data with a non‐trivial hierarchical structure. To this end, in this article we propose a full procedure for optimizing such processes through optimal experimental designs and modeling. In order to study a hierarchical structure, several types of experimental factors may arise, making the building of the experimental design challenging. Starting from the analysis of a preliminary dataset and a pilot design including nested, branching, and shared experimental factors, as well as a new type of experimental factor called composite‐form‐factor, we build a hierarchical D‐optimal experimental design using genetic algorithms. We apply our proposal to a real case‐study in the rail sector aimed at optimizing the payload distribution of freight trains. In this case‐study we also achieve the best train configuration by minimizing the in‐train forces. The results are very satisfactory and confirm that our full procedure represents a valid method to be successfully applied for solving similar technological problems.
Grain‐Boundary‐Free Glassy Solid Electrolytes based on Sulfide Materials: Effects of Oxygen and Nitrogen Doping on Electrochemical Performance
Authors: Zhao Ran , Hu Guantai , Kmiec Steven , Wheaton Jacob , Torres Victor M. , Martin Steve W. 
Published: August 2022

AbstractWhile much of the current research on glassy solid electrolytes (GSEs) has focused on the binary Li2S+P2S5 system, compositions with Si are of interest because Si promotes stronger glass formation and allows low‐cost melt‐quenching (MQ) synthesis under ambient pressure. Another advantage is that they can be formed in homogeneous and continuous glass forms, as a result they are free of grain boundaries. In this work, we have examined the structures and electrochemical properties of bulk glass pieces of sulfide and oxy‐sulfide GSE compositions and have also expanded the study by using LiPON glass as a dopant to produce an entirely new class of nitrogen doped mixed oxy‐sulfide nitride (MOSN) GSEs. Upon doping with oxygen and nitrogen, the solid electrolyte interface (SEI) is stabilized and the doped MOSN GSE exhibits a critical current density (CCD) of 1.8 mA cm−2 at 100 °C. We also report on improving the glass quality, the SEI engineering and its limitations, and future plans of improving the electrochemical performance of these homogeneous MQ MOSN GSEs. These fundamental results can help to understand the structures and doping effects of the bulk GSEs, and as such can provide a guide to design improved homogeneous grain‐boundary‐free GSEs.
Maternal micronutrient deficiency and congenital heart disease risk: A systematic review of observational studies
Authors: Mires Stuart , Caputo Massimo , Overton Timothy , Skerritt Clare 
Published: August 2022

AbstractBackgroundCongenital anomalies affect over 2% of pregnancies, with congenital heart disease (CHD) the most common. Understanding of causal factors is limited. Micronutrients are essential trace elements with key roles in growth and development. We aimed to investigate whether maternal micronutrient deficiencies increase the risk of fetal CHD through systematic review of published literature.MethodWe performed a systematic review registered at PROSPERO as CRD42021276699. Ovid‐MEDLINE, Ovid‐EMBASE, and Cochrane Library were searched from their inception until September 7, 2021. Case control trials were included with a population of biological mothers of fetuses with and without CHD. The exposure was maternal micronutrient level measured in pregnancy or the postpartum period. Data extraction was performed by one author and checked by a second. Risk of bias assessment was performed according to the Scottish Intercollegiate Guidelines Network guidance. We performed a narrative synthesis for analysis.Results726 articles were identified of which 8 met our inclusion criteria. Final analysis incorporated data from 2,427 pregnancies, 1,199 of which were complicated by fetal CHD assessing 8 maternal micronutrients: vitamin D, vitamin B12, folate, vitamin A, zinc, copper, selenium, and ferritin. Studies were heterogenous with limited sample sizes and differing methods and timing of maternal micronutrient sampling. Definitions of deficiency varied and differed from published literature. Published results were contradictory.ConclusionThere is not enough evidence to confidently conclude if maternal micronutrient deficiencies increase the risk of fetal CHD. Further large‐scale prospective study is required to answer this question.
Studies toward the total synthesis of (+)‐neopeltolide using N‐heterocyclic carbene‐catalyzed oxo‐acyloxylation/reductive oxa‐Michael addition strategy
Authors: Reddi Rambabu N. , Sudalai Arumugam , Jo Changbum 
Published: August 2022

AbstractThis article describes a concise synthesis of two important fragments (tetrahydropyran [THP] and ketone moieties) of the cytotoxic macrolide (+)‐neopeltolide in 10 long linear steps in enantiomerically pure form. Asymmetric Keck allylation to install the required C11 and C13 stereocenters, N‐heterocyclic carbene (NHC)‐catalyzed oxoacyloxylation to functionalize alkenes, and reductive oxa‐Michael addition to construct 2,6‐difunctionalized THP unit intramolecularly are the important steps in synthetic efforts. Finally, Keck asymmetric allylation and Lewis acid‐catalyzed diastereoselective allylation of the aldehyde were sequentially employed to establish the stereocenters at C11 and C13 positions, respectively.
Is a Catalyst Always Needed? The Case of the Knoevenagel Reaction with Malononitrile
Authors: Campisciano Vincenzo , Giacalone Francesco , Gruttadauria Michelangelo 
Published: August 2022

AbstractThe aim of this Perspective is to start a discussion about the real usefulness of more or less sophisticated catalytic systems for the Knoevenagel reaction with malononitrile, a reaction that can take place under mild conditions without the need of a catalyst. From a sustainable viewpoint the questions are: Is it useful to increase the rate of a reaction that already occurs under mild conditions? Is it useful to spend resources and time in designing, characterizing and realizing complex catalytic systems for such reaction? Does it make sense to carry out the reaction under conditions such as to have a slower reaction rate and therefore to find a catalyst that is able to increase it?
Sequential Formation of Heteroternary Cucurbit[10]uril (CB[10]) Complexes
Authors: Li Chunyang , Manick Anne‐Doriane , Zhao Yuxi , Liu Fengbo , Chatelet Bastien , Rosas Roselyne , Siri Didier , Gigmes Didier , Monnier Valerie , Charles Laurence , Broggi Julie , Liu Simin , Martinez Alexandre , Kermagoret Anthony , Bardelang David 
Published: August 2022

AbstractThe globular and monocationic guest molecule trimethyl‐azaphosphatrane (AZAP, a protonated Verkade superbase) was shown to form a host:guest 1 : 1 complex with the cucurbit[10]uril (CB[10]) macrocycle in water. Molecular dynamics calculations showed that CB[10] adopts an 8‐shape with AZAP occupying the majority of the internal space, CB[10] contracting around AZAP and leaving a significant part of the cavity unoccupied. This residual space was used to co‐include planar and monocationic co‐guest (CG) molecules, affording heteroternary CB[10]⋅AZAP⋅CG complexes potentially opening new perspectives in supramolecular chemistry.
Metal‐Based Aerogels Catalysts for Electrocatalytic CO2 Reduction
Authors: Wang Guangtao , Li Xiang , Yang Xiaohan , Liu Li‐Xia , Cai Yanming , Wu Yajun , Wang Shengyan , Li Huan , Zhou Yuanzhen , Wang Yuanyuan , Zhou Yang 
Published: August 2022

AbstractGeneral strategies for metal aerogel synthesis, including single‐metal, transition‐metal doped, multi‐metal‐doped, and nano‐metal‐doped carbon aerogel are described. In addition, the latest applications of several of the above‐mentioned metal aerogels in electrocatalytic CO2 reduction are discussed. Finally, considering the possibility of future applications of electrocatalytic CO2 reduction technology, a vision for industrialization and directions that can be optimized are proposed.