bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Traceless Site‐Specific Conjugation on Native Antibodies Enables Efficient One‐Step Payload Assembly
Authors: Zeng Yue , Shi Wei , Dong Qian , Li Wanzhen , Zhang Jianxin , Ren Xuelian , Tang Caihong , Liu Bo , Song Yuanli , Wu Yali , Diao Xingxing , Zhou Hu , Huang He , Tang Feng , Huang Wei 
Published: June 2022

AbstractDirect chemical modification of native antibodies in a site‐specific manner remains a great challenge. Ligand‐directed conjugation can achieve the selective modification of antibodies, but usually requires multiple extra steps for ligand release and cargo assembly. Herein, we report a novel, traceless strategy to enable the facile and efficient one‐step synthesis of site‐specific antibody‐drug conjugates (ADCs) by harnessing a thioester‐based acyl transfer reagent. The designed reagent, consisting of an optimized Fc‐targeting ligand, a thioester bridge and a toxin payload, directly assembles the toxin precisely onto the K251 position of native IgGs and simultaneously self‐releases the affinity ligand in one step. With this method, we synthesized a series of K251‐linked ADCs from native Trastuzumab. These ADCs demonstrated excellent homogeneity, thermal stability, and both in vitro and in vivo anti‐tumor activity. This strategy is equally efficient for IgG1, IgG2, and IgG4 subtypes.
CO2 Capture by Hybrid Ultramicroporous TIFSIX‐3‐Ni under Humid Conditions Using Non‐Equilibrium Cycling
Authors: Ullah Saif , Tan Kui , Sensharma Debobroto , Kumar Naveen , Mukherjee Soumya , Bezrukov Andrey A. , Li Jing , Zaworotko Michael J. , Thonhauser Timo 
Published: June 2022

AbstractAlthough pyrazine‐linked hybrid ultramicroporous materials (HUMs, pore size <7 Å) are benchmark physisorbents for trace carbon dioxide (CO2) capture under dry conditions, their affinity for water (H2O) mitigates their carbon capture performance in humid conditions. Herein, we report on the co‐adsorption of H2O and CO2 by TIFSIX‐3‐Ni—a high CO2 affinity HUM—and find that slow H2O sorption kinetics can enable CO2 uptake and release using shortened adsorption cycles with retention of ca. 90 % of dry CO2 uptake. Insight into co‐adsorption is provided by in situ infrared spectroscopy and ab initio calculations. The binding sites and sorption mechanisms reveal that both CO2 and H2O molecules occupy the same ultramicropore through favorable interactions between CO2 and H2O at low water loading. An energetically favored water network displaces CO2 molecules at higher loading. Our results offer bottom‐up design principles and insight into co‐adsorption of CO2 and H2O that is likely to be relevant across the full spectrum of carbon capture sorbents to better understand and address the challenge posed by humidity to gas capture.
Periphery‐Core Strategy to Access a Bowl‐Shaped Molecule Bearing Multiple Heteroatoms
Authors: Wu Jianrong , Zhang Gang 
Published: June 2022

AbstractMost of the bowl‐shaped molecules are synthesized via a core‐periphery strategy with the bowl rim closed at the final stage. However, the construction of heteroatom‐doped buckybowls by the periphery‐core method with the bowl bottom sealed by inserting new atoms in the last step is quite limited. Herein we report the synthesis of a bowl‐shaped compound containing four sulfur atoms and two embedded N−B bonds with the ratio of carbon atom and heteroatom as low as four through a periphery‐core strategy. Crystallographic analysis confirms the formation of a bowl‐shaped structure. The multiple heteroatoms alter the molecular electronic structure, thus resulting in the distinct aromaticity when compared with its all‐carbon congener. The electron‐rich buckybowl shows a strong interaction with the electron‐deficient fullerene C60by forming a 1 : 1 complex in toluene.
Photoluminescent Inorganic Nanoprobe‐based Pathogen Detection
Authors: Huang Li‐Li , Wang Zhong‐Jie , Xie Hai‐Yan 
Published: June 2022

AbstractPathogens are serious threats to human health, and traditional detection techniques suffer from various limitations. The unique optical properties of photoluminescent inorganic nanomaterials, such as high photoluminescence quantum yields, good photostability, and tunable spectra, make them ideal tools for the detection of pathogens with high specificity and sensitivity. In this review, the design strategies, working mechanisms, and applications of photoluminescent inorganic nanomaterial‐based probes in pathogen detection are introduced. In particular, the design and construction of stimuli‐responsive nanoprobes and their potential in these fields are highlighted.
Effects of marital status on survival of retroperitoneal liposarcomas stratified by age and sex: A population‐based study
Authors: Li Yiding , Wu Guiling , Zhang Yujie , Yang Wanli , Wang Xiaoqian , Duan Lili , Niu Liaoran , Chen Junfeng , Zhou Wei , Liu Jinqiang , Fan Daiming , Hong Liu 
Published: June 2022

AbstractBackgroundPrevious studies have shown that marital status is associated with survival in patients with a variety of cancer types, including lung cancer, prostate cancer, and bladder cancer. However, to date, the impact of marital status on the survival of patients with retroperitoneal liposarcomas (RPLs) has not been established.MethodsA total of 1211 eligible patients diagnosed with RPLs were identified in the Surveillance, Epidemiology, and End Results (SEER) database. The relationships between marital status and survival in patients with RPLs were assessed. Patients were stratified by age to determine whether an association exists between marital status and age. We also probed the association between marital status and survival in males and females.ResultsOur findings suggest that divorced, separated, or widowed patients have more advanced cancer stages, and more of these patients do not undergo surgery. Meanwhile, divorced, separated, or widowed patients have worse survival outcomes than married patients (overall survival (OS): HR = 1.66 (95% CI, 1.12, 2.46)); cancer‐specific survival (CSS): HR = 1.90 (95% CI, 1.13, 3.19)). OS does not differ between single patients and married patients (HR = 1.21 [95% CI, 0.81, 1.81]) or CSS (HR = 1.36 [95% CI, 0.80, 2.29]). In addition, these results demonstrate that being divorced, separated, or widowed can play a significant detrimental role in mortality in older and female patients.ConclusionMarried patients have earlier disease stages at diagnosis and better survival outcomes than divorced, separated, or widowed patients with RPLs. In addition, this effect is especially pronounced in older people and females.
Gold(I) NHC Catalysts Immobilized to Amphiphilic Block Copolymers: A Versatile Approach to Micellar Gold Catalysis in Water
Authors: Petersen Hanne , Ballmann Monika , Krause Norbert , Weberskirch Ralf 
Published: June 2022

AbstractFifteen gold(I)‐NHC‐functionalized amphiphilic block copolymers that differ in the type of linker (ethyl, pentyl, octyl and benzyl) that attaches the gold(I) NHC catalyst to the block copolymer backbone, as well as, the substitution pattern of the NHC ligand (i. e. mesityl, methyl, 2,6‐diisopropylphenyl and n‐hexyl) were synthesized by a reversible addition and fragmentation transfer (RAFT) polymerization process. Micelle formation of the gold(I) NHC polymers was analyzed by electron microscopy and dynamic light scattering and revealed spherical and rod‐like particles from 12 to 96 nm. In the micellar, gold(I) catalyzed cycloisomerization of an allene to the corresponding dihydrofuran, linker flexibility and substitution pattern of the NHC‐ligand showed a strong effect on the catalytic activity. Best results were obtained were obtained for gold(I) NHC catalysts bound to the polymer backbone by pentyl linker whereas the rather stiff benzyl linker gave lowest catalyst conversion. Moreover, the polymer catalyst could be recycled in four consecutive runs and gave activities from 35 to 84 % in the fourth run and underscores the importance of fine tuning structural parameters to achieve high conversion under micellar reaction conditions.
Quantification of the Electrophilicities of Diazoalkanes: Kinetics and Mechanism of Azo Couplings with Enamines and Sulfonium Ylides
Authors: Li Le , Mayer Robert J. , Stephenson David S. , Mayer Peter , Ofial Armin R. , Mayr Herbert 
Published: June 2022

AbstractKinetics and mechanism of the reactions of methyl diazoacetate, dimethyl diazomalonate, 4‐nitrophenyldiazomethane, and diphenyldiazomethane with sulfonium ylides and enamines were investigated by UV‐Vis and NMR spectroscopy. Ordinary alkenes undergo 1,3‐dipolar cycloadditions with these diazo compounds. In contrast, sulfonium ylides and enamines attack at the terminal nitrogen of the diazo alkanes to give zwitterions, which undergo various subsequent reactions. As only one new bond is formed in the rate‐determining step of these reactions, the correlation lg k2(20 °C)=sN(N+E) could be used to determine the one‐bond electrophilicitiesEof the diazo compounds from the measured second‐order rate constants and the known reactivity indicesNandsNof the sulfonium ylides and enamines. The resulting electrophilicity parameters (−21<E<−18), which are 11–14 orders of magnitude smaller than that of the benzenediazonium ion, are used to define the scope of one‐bond nucleophiles which may react with these diazoalkanes.
Efficient and Sustainable in situ Photo‐Fenton Reaction to Remove Phenolic Pollutants by NH2‐MIL‐101(Fe)/Ti3C2Tx Schottky‐Heterojunctions
Authors: Hu Cong‐Yi , Jiang Zhong‐Wei , Yang Chang‐Ping , Wang Xiao‐Yan , Wang Xue , Zhen Shu‐Jun , Wang Dong‐Mei , Zhan Lei , Huang Cheng‐Zhi , Li Yuan‐Fang 
Published: June 2022

AbstractMetal‐organic frameworks (MOFs) with abundant active sites, a class of materials composed of metal nodes and organic ligands, is widely used for photocatalytic degradation of pollutants. However, the rapid recombination of photoinduced carriers of MOFs limits its photocatalytic degradation performance. Herein, Ti3C2Tx nanosheets‐based NH2‐MIL‐101(Fe) hybrids with Schottky‐heterojunctions were fabricated by in situ hydrothermal assembly for improved photocatalytic activity. The photodegradation efficiencies of the NH2‐MIL‐101(Fe)/Ti3C2Tx (N‐M/T) hybrids for phenol and chlorophenol were 96.36 % and 99.83 % within 60 minutes, respectively. The N‐M/T Schottky‐heterojunction duly transferred electrons to the Ti3C2Tx nanosheets surface via built‐in electric fields, effectively suppressing the recombination of photogenerated carriers, thereby improving the photocatalytic performance of NH2‐MIL‐101(Fe). Moreover, the Fe‐mixed‐valence in the N‐M/T led to improvement in the efficiency of the in situ generated photo‐Fenton reactions, further enhancing the photocatalytic activity with more generated reactive oxygen species (ROS). The study proposes a highly effective removal of phenolic pollutants in wastewater.
Between Two Chairs: Combination of Theory and Experiment for the Determination of the Conformational Dynamics of Xylosides
Authors: Jaeschke Sven Ole , Lindhorst Thisbe K. , Auer Alexander 
Published: June 2022

AbstractThe conformational properties of monosaccharides constitute fundamental features of oligosaccharides. While the energy landscape of monosaccharides can be altered by a specific biochemical environment or by chemical modifications, the analysis of resulting dynamic conformational equilibria is not feasible by experimental means alone. In this work, a series of β‐d‐xylopyranosides is used to outline how a combination of experimental NMR parameters and computed molecular properties can be used to determine conformers and quantify the composition of conformational equilibria. We demonstrate that identifying the most stable conformers using energy calculations is challenging and computing of NMR shieldings is typically not sensitive enough. On the other hand, computed spin‐spin coupling constants for the xyloside ring can be used to unambiguously assign experimental NMR data of dynamic conformational equilibria and quantify the ratio of different conformers in the mixture. As a proof of principle, this procedure allowed to analyze a hitherto unknown dynamic equilibrium of a diamino‐xyloside as a precursor of a molecular switch.
Carbon‐Based Materials as Lithium Hosts for Lithium Batteries
Authors: Chen Shang , Chen Shuiyin , Han Dengji , Bielawski Christopher W. , Geng Jianxin 
Published: June 2022

AbstractLithium (Li) metal has attracted significant attention in areas that range from basic research to various commercial applications due to its high theoretical specific capacity (3860 mA h g−1) and low electrochemical potential (−3.04 vs. standard hydrogen electrode). However, dendrites often form on the surfaces of Li metal anodes during cycling and thus lead to battery failure and, in some cases, raise safety concerns. To overcome this problem, a variety of approaches that vary the electrolyte, membrane, and/or anode have been proposed. Among these efforts, the use of three‐dimensional frameworks as Li hosts, which can homogenize and minimize the current density at the anode surface, is an effective approach to suppress the formation of Li dendrites. Herein, we describe the development of using carbon‐based materials as Li hosts. While these materials can be fabricated into a variety of porous structures, they have a number of intrinsic advantages including low costs, high specific surface areas, high electrical conductivities, and wide electrochemical stabilities. After briefly summarizing the formation mechanisms of Li dendrites, various methods for controlling structural and surface chemistry will be described for different types of carbon‐based materials from the viewpoint of improving their performance as Li hosts. Finally, we provide perspective on the future development of Li host materials needed to meet the requirements for their use in flexible and wearable devices and other contemporary energy storage techniques.
Extending CIECAM02 and CAM16 for the Helmholtz–Kohlrausch effect
Authors: Hellwig Luke , Stolitzka Dale , Fairchild Mark D. 
Published: June 2022

AbstractIncreasing the purity of a visual stimulus increases its brightness, even if the stimulus luminance is held constant. This perceptual phenomenon is known as the Helmholtz–Kohlrausch (H–K) Effect. This paper reviews published experimental data and models of the effect. Using past experimental data, we derive a modification of the CIECAM02 and CAM16 color appearance models to account for the H–K effect and compare the proposed model to other models. Finally, we discuss the need for further experimental data on the H–K effect to refine the proposed model.
Influence of Solvent Properties on Two Individuals Presented in the Excited State – Reverse Fluorosolvatochromism of CNAacDMA**
Authors: Bylińska Irena , Wiczk Wiesław 
Published: June 2022

AbstractThe photophysical behavior of 9‐(2‐(4‐(N,N‐dimethylamino)phenyl)ethynyl)anthracene‐10‐carbonitrile (CNAacDMA) was investigated with absorption and steady‐state fluorometry. Studies have shown extremely interesting properties of the analyzed derivative. The studied molecule is characterized by dual fluorescence and bidirectional fluorescence. These two observed phenomena are interrelated. Dual fluorescence analysis (part 1) explains bidirectional fluorescence. The compound in polar solvents shows only one emission band, however in moderate polar solvents shows dual emission. The appearance of the long‐wavelength CT band in moderate polar solvents and its lack in polar solvents leads to bidirectional solvatofluorochromism. The solvatochrome analysis was performed in a wide range of 24 solvents. To determine the contribution of specific and nonspecific interaction of this compound with solvents linear and multi‐parametric correlation of the solvent polarity were analyzed. The novelty and innovation in this article is to carry out such an analysis separately for two different individuals occurring in the excited state. Single‐parameter scale with ET(30) as a solvent polarity parameter and multi‐parameter scales such as the Catalán four‐parameter solvent scale were used. The excited state dipole moment was determined based on solvatochromic method. The hydrogen bond energy change after excitation in the Franck‐Condon and relaxed excited state were estimated.
Renewable Beta‐Elemene Based Cyclic Carbonates for the Preparation of Oligo(hydroxyurethane)s
Authors: Maquilón Cristina , Brandolese Arianna , Alter Christian , Hövelmann Claas H. , Della Monica Francesco , Kleij Arjan W. 
Published: June 2022

AbstractConversion of β‐elemene into new β‐elemene dicarbonates through epoxidation and halide salt‐catalyzed CO2 cycloaddition reactions is reported. Step‐growth polyaddition of this dicarbonate to five different, commercial diamines was investigated under neat conditions at 150 °C yielding non‐isocyanate‐based low molecular weight oligo(hydroxyurethane)s with 1.3≤Mn≤6.3 kDa and 1.3≤Ð≤2.1, and with glass transition temperatures ranging from −59 to 84 °C. The preparation of one selected polyhydroxyurethane material, obtained in the presence of Jeffamine® D‐2010 was scaled‐up to 43 g. The latter, when combined in a formulation using Irgacure® 2100 and Laromer® LR 9000 allowed the preparation of coatings that were analyzed with several techniques showing the potential of these biobased oligourethanes towards the preparation of commercially relevant materials.
Temporal activity patterns of North China leopards and their prey in response to moonlight and habitat factors
Authors: Zaman Muhammad , Roberts Nathan James , Zhu Mengyan , Vitekere Kasereka , Wang Meng , Jiang Guangshun 
Published: June 2022

AbstractThe nocturnal activities of predators and prey are influenced by several factors, including physiological adaptations, habitat quality and, we suspect, corresponds to changes in brightness of moonlight according to moon phase. In this study, we used a dataset from 102 camera traps to explore which factors are related to the activity pattern of North China leopards (Panthera pardus japonensis) in Shanxi Tieqiaoshan Provincial Nature Reserve (TPNR), China. We found that nocturnal activities of leopards were irregular during four different lunar phases, and while not strictly lunar philic or lunar phobic, their temporal activity was highest during the brighter moon phases (especially the last quarter) and lower during the new moon phase. On the contrary, roe deer (Capreolus pygargus) exhibited lunar philic activity, while wild boar (Sus scrofa) and tolai hare (Lepus tolai) were evidently lunar phobic, with high and low temporal activity during the full moon, respectively. In terms of temporal overlap, there was positive overlap between leopards and their prey species, including roe deer and tolai hare, while leopard activity did not dip to the same low level of wild boar during the full moon phase. Human activities also more influenced the temporal activity of leopards and wild boar than other species investigated. Generally, our results suggested that besides moonlight risk index (MRI), cloud cover and season have diverse effects on leopard and prey nocturnal activity. Finally, distinct daytime and nighttime habitats were identified, with leopards, wild boar, and tolai hare all using lower elevations at night and higher elevations during the day, while leopards and roe deer were closer to secondary roads during the day than at night.
Insomnia in patients with acute heart failure: from the KCHF registry
Authors: Seko Yuta , Yamamoto Erika , Kato Takao , Morimoto Takeshi , Yaku Hidenori , Inuzuka Yasutaka , Tamaki Yodo , Ozasa Neiko , Shiba Masayuki , Yoshikawa Yusuke , Yamashita Yugo , Kitai Takeshi , Taniguchi Ryoji , Iguchi Moritake , Nagao Kazuya , Kawai Takafumi , Komasa Akihiro , Nishikawa Ryusuke , Kawase Yuichi , Morinaga Takashi , Toyofuku Mamoru , Furukawa Yutaka , Ando Kenji , Kadota Kazushige , Sato Yukihito , Kuwahara Koichiro , Kimura Takeshi ,   for the KCHF Study Investigators
Published: June 2022

AbstractAimsInsomnia is a known risk factor for heart failure (HF) and a predictor of cardiac events in HF patients, but the clinical significance of insomnia in patients with acute HF (AHF) is not adequately evaluated. This study aimed to investigate the association between insomnia and subsequent clinical outcomes in patients with AHF.MethodsFrom the Kyoto Congestive Heart Failure registry, consecutive 3414 patients hospitalized for HF who were discharged alive were divided into the 2 groups at discharge: insomnia group and non‐insomnia group. We compared baseline characteristics and 1 year clinical outcomes according to the presence of insomnia. The primary outcome measure was all‐cause death.ResultsThere were 330 patients (9.7%) and 3084 patients (90.3%) with and without insomnia, respectively. In the multivariable logistic regression analysis, brain‐type natriuretic peptide above median value at discharge (OR = 1.50, 95% CI = 1.08–2.10, P = 0.02) and the presence of oedema at discharge (OR = 4.23, 95% CI = 2.95–6.07, P < 0.001) were positively associated with insomnia at discharge, whereas diuretics at discharge (OR = 0.60, 95% CI = 0.39–0.90, P = 0.01) were negatively associated with insomnia at discharge. The cumulative 1 year incidence of all‐cause death was significantly higher in the insomnia group than in the non‐insomnia group (25.1% vs. 16.2%, P < 0.001). Even after adjusting the confounders, the higher mortality risk of patients with insomnia relative to those without insomnia remained significant (HR = 1.55, 95% CI = 1.24–1.94; P < 0.001).ConclusionsPatients with insomnia at discharge were associated with a higher risk of mortality than those without insomnia at discharge.