bluuebunny/crossref_metadata_2025_split huggingface dataset:
Carbonylative Cross‐Coupling Reaction of Allylic Alcohols and Organoalanes with 1 atm CO Enabled by Nickel Catalysis
Authors: Wang Chenglong , Wu Xianqing , Li Haiyan , Qu Jingping , Chen Yifeng 
Published: July 2022

AbstractA nickel‐catalyzed three‐component carbonylative cross‐coupling reaction of allylic alcohols and organoalanes with CO at atmospheric pressure is reported, enabling the expedient formation of β,γ‐unsaturated ketones with broad scope. Particularly, the chemoselective allylic carbonylation of diols further highlights the practicability of this protocol. The leverage of organoalanes as both the coupling components and the activators for the alcohol functionalization is crucial for this method, thus no extraneous activators are required.
Constructing Interfacial Boron‐Nitrogen Moieties in Turbostratic Carbon for Electrochemical Hydrogen Peroxide Production
Authors: Tian Zhihong , Zhang Qingran , Thomsen Lars , Gao Nana , Pan Jian , Daiyan Rahman , Yun Jimmy , Brandt Jessica , López‐Salas Nieves , Lai Feili , Li Qiuye , Liu Tianxi , Amal Rose , Lu Xunyu , Antonietti Markus 
Published: July 2022

AbstractThe electrochemical oxygen reduction reaction (ORR) provides a green route for decentralized H2O2 synthesis, where a structure–selectivity relationship is pivotal for the control of a highly selective and active two‐electron pathway. Here, we report the fabrication of a boron and nitrogen co‐doped turbostratic carbon catalyst with tunable B−N−C configurations (CNB‐ZIL) by the assistance of a zwitterionic liquid (ZIL) for electrochemical hydrogen peroxide production. Combined spectroscopic analysis reveals a fine tailored B−N moiety in CNB‐ZIL, where interfacial B−N species in a homogeneous distribution tend to segregate into hexagonal boron nitride domains at higher pyrolysis temperatures. Based on the experimental observations, a correlation between the interfacial B−N moieties and HO2− selectivity is established. The CNB‐ZIL electrocatalysts with optimal interfacial B−N moieties exhibit a high HO2− selectivity with small overpotentials in alkaline media, giving a HO2− yield of ≈1787 mmol gcatalyst−1 h−1 at −1.4 V in a flow‐cell reactor.
A Porphyrin‐Based Organic Network Comprising Sustainable Carbon Dots for Photopolymerization
Authors: Luo Xiongfei , Wan Jianyong , Meckbach Nicolai , Strehmel Veronika , Li Shujun , Chen Zhijun , Strehmel Bernd 
Published: July 2022

AbstractSustainable carbon dots (CDs) based on furfuraldehyde (F‐CD) resulted in a photosensitive material after pursuing the Alder‐Longo reaction. The porphyrin moiety formed connects the F‐CDs in a covalent organic network. This heterogeneous material (P‐CD) was characterized by XPS indicating incorporation of the respective C, N and O moieties. Time resolved fluorescence including global analysis showed contribution of three linked components to the overall dynamics of the excited state. Electrochemical and photonic properties of this heterogeneous material facilitated photopolymerization in a photo‐ATRP setup where either CuBr2/TPMA, FeBr3/Br−or a metal free reaction setup activated controlled polymerization. Chain extension experiments worked in all three cases showing end group fidelity for activation of controlled block copolymerization usingMMAand styrene as monomers. Traditional radical polymerization using a diaryl iodonium salt as co‐initiator failed.
Chemoenzymatic Synthesis of a Rhamnose‐Functionalized Bispecific Nanobody as a Bispecific Antibody Mimic for Cancer Immunotherapy
Authors: Hong Haofei , Lin Han , Li Dan , Gong Liang , Zhou Kun , Li Yanchun , Yu Hangyan , Zhao Kai , Shi Jie , Zhou Zhifang , Huang Zhaohui , Wu Zhimeng 
Published: July 2022

AbstractBispecific antibodies (BsAbs) are next‐generation therapeutics for complex cancer treatment. Herein, we developed a dual‐targeting non‐IgG format of bsAbs by using a bispecific nanobody (bsNb) that can simultaneously target EGFR and HER2 on tumor cells. Site‐specific modification of the anti‐EGFR‐HER2 bsNb was conducted using the rhamnose (Rha) hapten via sortase A‐mediated ligation to reconstitute the missing crystallizable fragment (Fc) effector biological functions. Functionally similar to bsAbs, bsNb‐Rha conjugates retained dual‐targeting activity and exerted potent anticancer effects via the Fc‐domain‐mediated engagement of endogenous anti‐Rha antibodies. Further, an optimized bsNb‐Rha conjugate exhibited markedly improved pharmacokinetics and efficient inhibitory effects against xenograft tumor growth in vivo. Our strategy provides a general and cost‐effective platform to generate a new bsAb format for cancer immunotherapy.
Preparation of sulfur‐doped graphenes by Yucel's method and their corresponding polylactide‐based nanocomposites
Authors: Kahraman Yusuf , Gursu Hurmus , Arvas Melih Besir , Ersozoglu M. Giray , Nofar Mohammadreza , Sarac A. Sezai , Sahin Yucel 
Published: July 2022

AbstractIn this study, S‐doped graphene (SG) powders were produced in one‐step green and environmental‐friendly, quick, and cheap route of Yucel's method. Different sulfur functional groups were formed on graphene surfaces by changing the anodic potential range and were first used to prepare SG/polylactide (PLA) nanocomposites. The influence of applied potential on the structural properties of SG powders was explored through cyclic voltammetry (CV), X‐ray photoelectron spectroscopy (XPS), X‐ray diffractometry (XRD), thermogravimetric analysis (TGA), scanning electron microscope (SEM), and BET surface area analysis. S‐doped graphenes were subsequently melt mixed with polylactide at low contents of 0.1 and 0.5 wt% using a twin‐screw extruder. The interaction of SGs functional groups with PLA and its effect on the nanocomposites' final morphological, thermomechanical, and tensile properties was then studied. It was revealed that the tensile strength and modulus of the nanocomposites were noticeably increased with the addition of such low SGs contents. The applied potential and hence the structural properties of SGs differently influenced the final tensile properties of the nanocomposites. A maximum enhancement of around 100% in tensile strength was observed using only 0.1 wt% SG produced at the potential range of −1.5 and 2.3 V.
Synthesis of aromatic polyesters derived from bisphenol‐A and bis(hydroxyphenyl)butane with diacyl chloride monomers
Authors: Wang Zhoufeng , Ding Taoguo , Hu Junwei , Wang Bolin , Liu Yingying , Ding Guoxin 
Published: July 2022

AbstractA series of aromatic polyesters were prepared by the reaction of bisphenol‐A and bis(hydroxyphenyl)butane with diacyl chloride monomers by phase transfer interfacial polycondensation in order to improve the processability of the bisphenol A‐based polyarylate. The microstructure, molecular weight, crystallinity, solubility, thermal properties, mechanical properties, and optical properties of the prepared copolyesters were investigated. Inherent viscosities of the copolyesters are in the range of 0.14–0.53 dl g−1, and their average molecular weights are 7362–44,413 g mol−1, respectively. The feed compositions and copolymer compositions were nearly identical. The results show that with the increase in the content of side ethyl units, the copolyester gradually transforms into an amorphous structure, which is also verified by the improvement in dissolution properties. When the copolyester backbone was introduced into the side ethyl units, the thermal decomposition temperature was less affected and varied in the range of about 10°C, while the value of glass transition temperature reduced from 196.5°C to 165.1°C. The mechanical properties of the polymers are similar to those of the industrial commodity U‐100. In addition, the copolyester films have good optical properties, and the transmittance reached the maximum value of 98.41% when the content of bis(hydroxyphenyl)‐butane was 10%.
Morphological, mechanical, and thermal properties of polyurethane nanocomposites co‐incorporated with micro‐Al2O3/nano‐Al2O3 for flexible thermal conductive component applications
Authors: Zhang Xuntao , Yang Jia , Yan Lei , Zhang Zhaoxin , Bian Jun , Lin Hailan , Chen Daiqiang 
Published: July 2022

AbstractThermoplastic polyurethane (TPU) nanocomposites (TPU/μmAl2O3‐ACA/nmAl2O3) with excellent mechanical, thermal stability and thermal conductivity were fabricated by co‐incorporating aluminate coupling agent DL‐411 chemically functionalized micron Al2O3 (μmAl2O3‐ACA) and nano‐Al2O3 (nmAl2O3) through melt blending method. FTIR analysis indicated that DL‐411 has been successfully grafted on the surface of μmAl2O3, which was beneficial to the homogeneous dispersion of Al2O3 particles and enhancements of interfacial interactions between Al2O3 particles and TPU matrix. Adding μmAl2O3‐ACA and nmAl2O3 simultaneously showed obvious synergistic effects on improving the mechanical properties of TPU nanocomposites. The optimum mechanical properties were obtained at the mass ratio of μmAl2O3‐ACA to nmAl2O3 of 3:1. Both μmAl2O3‐ACA and nmAl2O3 particles were homogeneously dispersed, constructing relatively perfect thermal conductivity networks, as verified by FESEM and PLM observations. The thermal conductivity (k) of TPU nanocomposites increased continuously with the addition of μmAl2O3‐ACA/nmAl2O3 particles, and the optimal k (0.28 W/m K) was achieved when the mass ratio of μmAl2O3‐ACA to nmAl2O3 was 3:1, which increased by 53% compared with pure TPU (k = 0.183 W/m K). TGA showed that, in contrast to those of pure TPU, the maximum decomposition temperature of TPU/μmAl2O3‐ACA/nmAl2O3 nanocomposites increased by 77.77°C, and the decomposition activation energy of TPU nanocomposite enhanced by 178%.
Recent Advances in the Chemistry of Heavier Group 14 Analogues of Carbonyls
Authors: Sun Tianyi , Li Jiazhong , Wang Hao 
Published: July 2022

AbstractHeavier analogues of carbonyls, in the form of “R2E=O” (E=Si, Ge, Sn, Pb), feature a high polar E=O double bond. In contrast to carbonyl compounds, heavier analogues are extremely unstable and prone to proceed head‐to‐tail oligomerization. Thus, the isolation of such species under ambient conditions is a challenging synthetic target in main group chemistry. In recent years, much progress has been achieved in the synthesis and isolation of a variety of Lewis base/acid, Lewis base‐stabilized and even Lewis acid/base free heavier analogues. These compounds exhibit interesting reactivities, such as small molecule activation and metathesis reactions, indicating the potential of heavier analogues in synthetic chemistry. This review summarizes the recent achievements in the chemistry of Lewis base and/or acid stabilized heavier analogues of carbonyls, including synthetic approaches, structural parameters and reactivity of these isolable compounds.
Boron–Based Electrolytes for Rechargeable Magnesium Batteries: Biography and Perspective
Authors: Ren Wen , Cheng Mingxiang , Wang Yaru , Zhang Duo , Yang Yang , Yang Jun , Wang Jiulin , NuLi Yanna 
Published: July 2022

AbstractRechargeable magnesium batteries (RMBs) are a promising alternative in the post–lithium era for their high volumetric capacity, crustal abundance, and metallic safety. Electrolytes for RMBs have experienced a development process from the initial Grignard compound to today's diversified single magnesium salt. Among them, the boron‐based electrolyte plays a significant connecting link between the preceding and the following. This review retrospectively combed the origin and development course of boron–magnesium electrolyte and focuses on the application of three representatives: borohydride, boron‐center fluorinated alkoxylate, and closo–borane cluster. Fundamental understandings and typical concerns correlative with the Mg−B electrolyte designs are highlighted and briefly discussed. Finally, future direction and possible proposals for practical Mg−B electrolytes are put forward.
Improved production of heme using metabolically engineered Escherichia coli
Authors: Choi Kyeong Rok , Yu Hye Eun , Lee Hoseong , Lee Sang Yup 
Published: July 2022

AbstractHeme has recently attracted much attention due to its promising applications in the food and healthcare industries. However, the current titers and productivities of heme produced by recombinant microorganisms are not high enough for a wide range of applications. In this study, the process for the fermentation of the metabolically engineered Escherichia coli HAEM7 strain was optimized for the high‐level production of heme. To improve the production of heme, different carbon sources, iron concentration in the medium, pH control strategies, induction points, and iron content in the feeding solution were examined. Moreover, strategies of increasing cell density, regular iron supplementation, and supply of excess feeding solution were developed to further improve the production of heme. In the optimized fermentation process, the HAEM7 strain produced 1.03 g/L heme with productivity of 21.5 mg/L/h. The fermentation process and strategies reported here will expedite establishing industry‐level production of heme.
Comparative pharmacokinetics of four major flavonoids in normal and chronic gastritis rats after oral administration of different combinations of Banxia Xiexin decoction
Authors: Zhou Zehua , Liu Wangzhenzu , Li Xue , Li Chan , An Rui , Liang Kun , Wang Xinhong 
Published: July 2022

AbstractChronic gastritis (CG) has become a major threat to human health. Banxia Xiexin Decoction (BXXXD) has been used clinically to treat gastritis by acting on the spleen and stomach for thousands of years. Baicalin, wogonoside, liquiritin and liquiritigenin are the main bioactive flavonoids of BXXXD. A rapid, sensitive and selective HPLC–triple quadrupole (TQ)–MS/MS method was developed to simultaneously quantify the four flavonoids in rat plasma in this study. With salidroside as internal standard (IS), plasma samples were extracted and separated on a Welch HPLC XB‐C18 column (2.1 × 50 mm, 1.8 μm) using gradient elution. The optimized gradient of the mobile phase consisted of water (containing 0.1% formic acid) (A) and methanol (B) was used. Detection was implemented in multiple reaction monitoring mode with an electrospray negative ionization source. The comparative pharmacokinetics of four analytes in normal and CG rats after oral administration of BXXXD or its different compatibilities were first investigated. The results indicated that the pharmacokinetic behaviors of analytes were obviously changed in CG rats. From the comparison between the whole prescription group and the compatibility groups, it was found that the pharmacokinetic behavior of analytes also changed to some extent. The pharmacokinetic alterations of analytes might be due to the pathological conditions of CG.
Efficacy and safety of pyrotinib‐containing regimen in the patients with HER2‐positive metastatic breast cancer: A multicenter real‐world study
Authors: Yin Sha , Chi Yajing , Du Yangyang , Wang Jingfen , Shan Changping , Yi Weiwei , Shang Mao , Man Xiaochu , Tan Qiaorui , Li Huihui 
Published: July 2022

AbstractBackgroundPyrotinib, a novel irreversible epidermal growth factor receptor 2 (EGFR)/HER2 dual tyrosine kinase inhibitor, has shown promising antitumor efficacy with tolerable toxicity in HER2‐positive metastatic breast cancer (MBC) in several clinical trials. However, the clinical trials do not usually well reflect the patients in real clinical settings. Despite several small‐sample studies in real world, the data on pyrotinib as first‐line and third‐or‐later‐line treatment and the efficacy comparison of pyrotinib combined with different regimens are still lacking. Therefore, this study aimed to investigate the efficacy and safety of pyrotinib for the HER2‐positive MBC in real world to replenish more comprehensive data.MethodsA total of 172 HER2‐positive MBC patients treated with pyrotinib‐based therapy were recruited from multiple centers in nonclinical trial settings from September 2017 to June 2020.ResultsThe median progression‐free survival (mPFS) of 172 patients was 8.83 months. The patients, receiving first‐line pyrotinib treatment, had the longest mPFS (20.93 months) compared with those receiving second‐line (8.67 months, p = 0.0339) and third‐or‐later‐line (7.13 months, p = 0.0075) treatments, respectively. Prior treatment with lapatinib (p = 0.012) and site of metastasis (visceral vs. nonvisceral) (p = 0.033) were the independent prognostic factors for PFS. The prior treatment with lapatinib compared with lapatinib‐native treatment (5.96 vs. 10.97 months, p = 0.0036) and those with visceral metastasis compared with nonvisceral metastasis (8.40 vs. 23.70 months, p = 0.0138) had worse mPFS. Among 146 patients evaluated for efficacy, 2.1%, 58.9%, and 32.9% showed complete response, partial response, and stable disease, respectively. Adverse events occurred in 92.4% of the patients with 33.3% Grade 3 and higher adverse events and diarrhea (57.0%), anemia (44.8%), and leukopenia (40.7%) as the most frequent ones.ConclusionsPyrotinib‐containing regimen could effectively treat HER2‐positive MBC with acceptable toxicity, including the patients who progressed after lapatinib treatment and with brain metastasis.
Physical activity, polygenic risk score, and colorectal cancer risk
Authors: Chen Xuechen , Guo Feng , Chang‐Claude Jenny , Hoffmeister Michael , Brenner Hermann 
Published: July 2022

AbstractIntroductionWhether and to what extent the relationship between physical activity (PA) and colorectal cancer (CRC) differs according to CRC‐related genetic risk remains to be determined, and no studies to date have quantified how much genetically determined risk could be compensated for with active exercise.MethodsGenetic risk was quantified by a polygenic risk score (PRS) summarizing the estimated effect of 140 CRC‐associated genetic variants. Associations of PA with CRC risk were estimated by multivariable logistic regression across PRS levels. We also compared the impact of PA and specific PA types to the PRS using “genetic risk equivalent (GRE)”, a novel approach to enhance effective risk communication.ResultsAmong 5058 CRC patients and 4134 controls, we observed no significant association between overall PA level in quartiles and CRC risk. However, the highest versus lowest lifetime leisure time physical activity (LTPA) was associated with a 13% lower CRC risk [odds ratio 0.87, 95% confidence interval (CI) 0.77–1.00] independent of PRS levels (adjusted p value for interaction = 0.18). This effect was equivalent to the effect of having 11 percentiles lower PRS (GRE −10.6, 95% CI −20.7 to −0.6). The GRE (95% CI) for the highest lifetime sports tertile was −23.0 (−33.9 to −12.0).ConclusionsLTPA was inversely associated with CRC risk irrespective of polygenic risk for CRC, which reinforces the importance of LTPA in CRC prevention among the general population. Adequate sports activity can compensate for a large share of polygenic risk for CRC.
The structural maintenance of chromosomes 5 is a possible biomarker for individualized treatment of colorectal cancer
Authors: Gong Xiaoxia , Tian Xiaowei , Xie Hao , Li Zhaoshui 
Published: July 2022

AbstractBackgroundAlthough the understanding of resistance to oxaliplatin (OXA) chemotherapy in colorectal cancer (CRC) has been sought for many years, drug tolerance remains a major challenge for cancer therapy. Revealing the molecular mechanism of OXA resistance could help to explain the poor prognosis of patients.MethodsGene expression omnibus (GEO) database was searched, GSE83129, which contains RNA profiling in metastatic CRC patients treated first‐line with OXA, was chosen for the following analysis. Differential expressed genes (DEGs) between the adenocarcinoma and adjacent_normal team, respectively, in the OXA responders and no‐responders were analyzed. The Gene Ontology (GO) and hub genes in the protein–protein interaction (PPI) network were used for the molecular mechanism of OXA resistance. Tumor‐related databases were used for the clinical relevance of the structural maintenance of chromosomes 5 (SMC5) in CRC. The in vitro assays were used to detect the molecular function of SMC5 in CRC cells. Quantitative real‐time PCR (qRT‐PCR) and western blot were used to detect the expression of the structural maintenance of chromosomes 5/6 (SMC5/6) complex components upon OXA and raltitrexed (RTX) treatment. CCK‐8 was used to detect the cell viability of cells with different treatment.ResultsSMC5 was downregulated in CRC tissues of OXA no‐response patients. Lower expression of SMC5 was correlated with a poor prognosis in CRC patients, improved this gene expression, inhibited the CRC cell growth and invasion in vitro. Furthermore, SMC5 was downregulated upon OXA treatment in CRC cells, while RTX would reverse its expression, and the combination of these two drugs restored the SMC5 level to the normal situation. Finally, RTX treatment enhanced the OXA cytotoxicity.ConclusionSMC5 is a tumor suppressor, that low expression of this gene is benefit for the development of CRC. Combination treatment with RTX and OXA may be more suitable for those OXA no‐responders with lower SMC5.
Improved Antibody‐Specific Epitope Prediction Using AlphaFold and AbAdapt**
Authors: Xu Zichang , Davila Ana , Wilamowski Jan , Teraguchi Shunsuke , Standley Daron M. 
Published: July 2022

AbstractAntibodies recognize their cognate antigens with high affinity and specificity, but the prediction of binding sites on the antigen (epitope) corresponding to a specific antibody remains a challenging problem. To address this problem, we developed AbAdapt, a pipeline that integrates antibody and antigen structural modeling with rigid docking in order to derive antibody‐antigen specific features for epitope prediction. In this study, we systematically assessed the impact of integrating the state‐of‐the‐art protein modeling method AlphaFold with the AbAdapt pipeline. By incorporating more accurate antibody models, we observed improvement in docking, paratope prediction, and prediction of antibody‐specific epitopes. We further applied AbAdapt‐AF in an anti‐receptor binding domain (RBD) antibody complex benchmark and found AbAdapt‐AF outperformed three alternative docking methods. Also, AbAdapt‐AF demonstrated higher epitope prediction accuracy than other tested epitope prediction tools in the anti‐RBD antibody complex benchmark. We anticipate that AbAdapt‐AF will facilitate prediction of antigen‐antibody interactions in a wide range of applications.