bluuebunny/crossref_metadata_2025_split huggingface dataset:
Association of heat shock protein polymorphisms with patient susceptibility to coronary artery disease comorbid depression and anxiety in a Chinese population
Authors: Wang Haidong , Ba Yudong , Han Wenxiu , Zhang Haixia , Zhu Laiqing , Jiang Pei 
Published: June 2021

Background
Coronary artery disease (CAD) is one of the severe diseases that threaten human health worldwide. In addition, the associated rate of comorbidity with depression and anxiety is extremely high. Heat shock proteins (HSPs) are a group of proteins that possesses cardiovascular and psychological protection properties. The objective of this study is to determine the association of the two most widely studied HSPs, namely, HSP70 and HSP90, with CAD comorbid depression and anxiety in a Chinese population.

Methods
A case-control study involving 271 CAD patients and 113 healthy individuals was conducted. The 271 CAD patients include individuals with (123) and without depression (148) and individuals with (57) and without anxiety (214). Ten single nucleotide polymorphisms (SNPs) for HSP70 and seven SNPs for HSP90 were selected and genotyped.

Results
Results revealed that the HSP70 rs10892958 C allele and HSP70 rs2236658 T allele were associated with a decreased risk of CAD (P < 0.05), whereas the G allele of the rs11218941 polymorphism was associated with an increased risk of CAD. The haplotype analysis results indicated that the haplotype TGGGC of the HSPA8 gene (coded the HSP70 family, rs4936770/rs4802/rs10892958/rs11218941/rs2236658) significantly increased the risk of CAD (P = 0.008). Among the patients with CAD, the carriers of the CC genotype for the HSP90 rs1042665 showed higher risks of anxiety than the carriers of another genotypes. However, no significant relationships were found among the CAD with depression and CAD without depression groups for the selected SNPs. These findings suggested that the genetic polymorphisms in the HSP gene, especially the HSPA8 of HSP70, contribute to CAD susceptibility and rs1042665 genetic polymorphisms might have an effect on the anxiety incidence among CAD patients.
Interfacial‐Strain‐Controlled Ferroelectricity in Self‐Assembled BiFeO3 Nanostructures
Authors: Song Jingfeng , Zhuang Shihao , Martin Michael , Ortiz‐Flores Luis A. , Paudel Binod , Yarotski Dmitry , Hu Jiamian , Chen Aiping , Huey Bryan D. 
Published: June 2021

AbstractSelf‐assembled BiFeO3‐CoFe2O4 (BFO‐CFO) vertically aligned nanocomposites are promising for logic, memory, and multiferroic applications, primarily due to the tunability enabled by strain engineering at the prodigious epitaxial vertical interfaces. However, local investigations directly revealing functional properties in the vicinity of such critical interfaces are often hampered by the size, geometry, microstructure, and concomitant experimental artifacts. Ferroelectric switching in the presence of lateral distributions of vertical strain thus remains relatively unexplored, with broader implications for all strain‐engineered functional devices. By implementing tomographic atomic force microscopy, 3D domain orientation mapping, and spatially‐resolved ferroelectric switching movies, local tensile strain significantly impacts the ferroelectric switching, principally by retarding domain nucleation in the BFO nearest to the vertically epitaxial tensile‐strained interfaces. The relaxed centers of the BFO pillars become preferred domain nucleation and growth sites for low biases, with up to an order of magnitude change in the edge:center switching ratio for high biases. The new, multi‐dimensional imaging approach—and its corresponding insights especially for directly strained interface effects on local properties—thereby advances the fundamental understanding of polarization switching and provides design principles for optimizing functional response in confined nanoferroic systems.
Enhancing the Solubility and Transdermal Delivery of Drugs Using Ionic Liquid‐In‐Oil Microemulsions
Authors: Lu Beibei , Bo Yiyang , Yi Mingjie , Wang Zhenyuan , Zhang Jichuan , Zhu Zhenye , Zhao Yanli , Zhang Jiaheng 
Published: June 2021

AbstractThe development of hydrophobic drug and protein delivery carriers remains a challenge. To synthesize L‐(‐)‐carnitine‐based ionic liquid (IL), this study applies the density functional theory to investigate the hydrogen bonds and van der Waals force that govern L‐(‐)‐carnitine‐based IL formation. An ionic liquid‐in‐oil microemulsion (IL/O ME) is then developed to facilitate the transdermal delivery of proteins and increase the solubility of drugs. IL/O ME is prepared using isopropyl myristate (IPM), Tween 80/Span 20, and L‐(‐)‐carnitine‐based IL. The skin permeation studies conducted using mouse skin show that the insulin permeation percentage of the developed IL/O ME is 3.55 folds higher than that of phosphate‐buffered saline and 2.91 folds better than that of a hydrophilic L‐(‐)‐carnitine‐based IL. In addition, the solubility of two drug molecules, that is, rosiglitazone and bezafibrate, in IL/O ME is at least 49.28 folds higher than their solubility in water or IPM. Therefore, IL/O ME can significantly improve the solubility of drugs and increase the permeability of proteins (e.g., insulin), thus demonstrating a promising potential as a delivery carrier.
Sex‐Specific Response to Combinations of Shear Stress and Substrate Stiffness by Endothelial Cells In Vitro
Authors: James Bryan D. , Allen Josephine B. 
Published: June 2021

AbstractBy using a full factorial design of experiment, the combinatorial effects of biological sex, shear stress, and substrate stiffness on human umbilical vein endothelial cell (HUVEC) spreading and Yes‐associated protein 1 (YAP1) activity are able to be efficiently evaluated. Within the range of shear stress (0.5–1.5 Pa) and substrate stiffness (10–100 kPa), male HUVECs are smaller than female HUVECs. Only with sufficient mechanical stimulation do they spread to a similar size. More importantly, YAP1 nuclear localization in female HUVECs is invariant to mechanical stimulation within the range of tested conditions whereas for male HUVECs it increases nonlinearly with increasing shear stress and substrate stiffness. The sex‐specific response of HUVECs to combinations of shear stress and substrate stiffness reinforces the need to include sex as a biological variable and multiple mechanical stimuli in experiments, informs the design of precision biomaterials, and offers insight for understanding cardiovascular disease sexual dimorphisms. Moreover, here it is illustrated that different complex mechanical microenvironments can lead to sex‐specific phenotypes and sex invariant phenotypes in cultured endothelial cells.
Discovery and Engineering of Bacterial (−)‐Isopiperitenol Dehydrogenases to Enhance (−)‐Menthol Precursor Biosynthesis
Authors: Zhan Jing‐Ru , Shou Chao , Zheng Yu‐Cong , Chen Qi , Pan Jiang , Li Chun‐Xiu , Xu Jian‐He 
Published: June 2021

AbstractMicrobial synthesis of (−)‐menthol, a compound of plant origin, is of great importance because of the high demand for this product and related sustainability issues. However, the total biosynthesis of (−)‐menthol from easily available feedstocks like (−)‐limonene by engineered microbial hosts is stalled by the poor protein expression or activity of several enzymes from the native (−)‐menthol biosynthesis pathway of mint (Mentha piperita). Among these unsatisfied steps, (−)‐isopiperitenol dehydrogenase (IPDH) catalyzed oxidation reaction of (−)‐trans‐isopiperitenol was one of the bottlenecks that need to be optimized. In this work, two novel bacterial enzymes with IPDH activity were discovered to replace their inefficient counterpart from plant cells in microbial (−)‐menthol synthesis. Two key residues in PaIPDH from Pseudomonas aeruginosa were mutated to PaIPDHE95F/Y199V with 4.4‐fold improved specific activity than PaIPDH. The mechanism for the beneficial mutations was elucidated by molecular dynamics simulations. PaIPDHE95F/Y199V was used to synthesize (−)‐isopiperitenone from (−)‐limonene in vivo via a self‐sufficient cofactor cascade enzyme reaction, affording a 3.7‐fold enhanced titer of (−)‐isopiperitenone compared with that obtained using the original mint IPDH (MpIPDH). The bacterial enzyme PaIPDHE95F/Y199V can be applied in the future for constructing a more efficient artificial pathway to biosynthesize (−)‐menthol in a microbial whole‐cell system.magnified image
DBU Catalysed Enantioselective Degradative Rearrangement: a Way to Tetrasubstituted 2‐Aryl‐2‐Amino Esters
Authors: Loro Camilla , Sala Roberto , Penso Michele , Foschi Francesca 
Published: June 2021

AbstractHerein we report a catalytic, easily scalable protocol for the enantioselective synthesis of Tetrasubstituted α‐aryl‐α‐amino acid derivatives, using a biphasic system composed by catalytic DBU in DME and aqueous solutions of Na2CO3. Under very mild reaction conditions, without using metal or chiral additives, this heterogeneous system promotes the degradative rearrangement of functionalized N‐aryl sulphonyl α‐amino esters into the corresponding tetrasubstituted 2‐aryl‐2‐amino esters, with high enantiomeric ratios (up to 97.5:2.5) and good yields (up to 95%).magnified image
Diastereoselective Synthesis of Spirocyclic Ether from ortho‐Carbonylarylacetylenols via Silver‐Catalyzed Cyclization under Acidic Conditions
Authors: Jaithum Kanokwan , Tummatorn Jumreang , Boekfa Bundet , Thongsornkleeb Charnsak , Chainok Kittipong , Ruchirawat Somsak 
Published: June 2021

Abstractortho‐Carbonylarylacetylenol, can be utilized for the synthesis of several important core structures. In this work, a method is developed for the diastereoselective synthesis of spirocyclic ethers using a silver catalyst under the presence of acid. This protocol can be applied to a variety of substrates resulting in the corresponding products in 35–97% yields with good diastereoselectivity. The proposed reaction mechanisms and stereoselectivity outcome of the corresponding products are investigated using DFT calculation. This current protocol can be applied to a broad range of substrates which would be useful for the creation of libraries of spirocylic ethersmagnified image
Additive‐Induced Synergies of Defect Passivation and Energetic Modification toward Highly Efficient Perovskite Solar Cells
Authors: Xiong Shaobing , Hou Zhangyu , Dong Wei , Li Danqin , Yang Jianming , Bai Ruirong , Wu Yuning , Li Dong , Wu Hongbo , Ma Zaifei , Xu Jianhua , Liu Xianjie , Bao Qinye 
Published: June 2021

AbstractDefect passivation via additive and energetic modification via interface engineering are two effective strategies for achieving high‐performance perovskite solar cells (PSCs). Here, the synergies of pentafluorophenyl acrylate when used as additive, in which it not only passivates surface defect states but also simultaneously modifies the energetics at the perovskite/Spiro‐OMeTAD interface to promote charge transport, are shown. The additive‐induced synergy effect significantly suppresses both defect‐assisted recombination and interface carrier recombination, resulting in a device efficiency of 22.42% and an open‐circuit voltage of 1.193 V with excellent device stability. The two photovoltaic parameters are among the highest values for polycrystalline CsFormamidinium/Methylammonium (FAMA)/FAMA based n‐i‐p structural PSCs using low‐cost silver electrodes reported to date. The findings provide a promising approach by choosing the dual functional additive to enhance efficiency and stability of PSCs.
Optimal design of hierarchically structured ZSM‐5 zeolites for n‐hexane isomerization
Authors: Zhang Qunfeng , Liu Xinlei , Hu Shen , Ye Guanghua , Zhou Xinggui , Yuan Weikang 
Published: June 2021

ABSTRACTAlthough great progress has been made in the synthesis of hierarchically structured zeolites (HSZs), the optimal design of HSZs is still very challenging due to the lack of mathematical models. This work proposes a multiscale model that is able to describe mass transfer and reaction at crystal, pellet, and reactor levels, by directly coupling model equations at two neighboring levels. Two types of HSZ particles are considered, and n‐hexane isomerization catalyzed by Pt/ZSM‐5 is taken as a model reaction system. The results show that the diffusion limitations in both micropores and macro‐/meso‐pores can significantly reduce the conversion at reactor level. The trade‐off between diffusion limitations and quantity of catalytic materials determines the optimal structure of HSZ particles. The optimized HSZ particles can be 52.9–1021.4% larger in conversion than their conventional counterparts. This work provides a powerful model and some useful guidance for the design of industrial zeolite catalysts.
Multifunctional amphoteric resin to remove both anionic and cationic dyes from aqueous solution
Authors: Coşkun Ramazan , Öncel Kadriye , Akköz Yasin 
Published: June 2021

AbstractThis study reports the synthesis and characterization of a new amphoteric resin, which can be used for the removal of both cationic, methylene blue (MB) and anionic dyes, reactive red‐120 (RR‐120). The amphoteric resin was characterized by ATR‐FTIR, SEM–EDX, TGA/DTA, DLS, BET analysis and also its surface pHpzc was determined. The prepared resin has micro porous structure and its particle size was at the nano level. The prepared amphoteric resin showed high removal affinity for MB in both acidic and basic medium, while for RR‐120 high removal affinity in acidic medium. Moreover, it was observed that the amphoteric resin has exhibited almost 100% dye removal up to 600 ppm for MB and up to 300 ppm for RR‐120, respectively. The adsorption behavior of both dyes on the amphoteric resin is in agreement with the Langmuir isotherm and the pseudo‐second order kinetic model and also electrostatic interaction is dominant in adsorption. Its capacity was slightly low for the MB than that of the commercial activated carbon, but higher for the RR‐120. Furthermore, it was observed that the amphoteric resin almost did not lose its high removal efficiency in the concentrated matrix environment for both dyes. After five repeated adsorption–desorption cycles, the high removal efficiency of the resin for the MB (almost 100%) unchanged, but for the RR‐120 decreased to 83%.
Gradient curing process in the mixed epoxy system and property analysis of the cured products
Authors: Jia Caixia , Li Jun , Wang Qian , Pu Lei , Li Zhixin , Cui Hang 
Published: June 2021

AbstractTo improve the high‐temperature mechanical properties of room temperature cured epoxy resin, a mixed curing agent was used and the curing process was studied under a temperature ramp. The tests including gelation time, differential scanning calorimetry, dynamic thermomechanical analysis, and flexural strength were taken to evaluate the changes in pot life, reaction process, heat resistance, and mechanical properties, respectively. The analysis then focused on the extent of cure. Meanwhile, the effects of non‐reactive diluent on the curing process and product properties were analyzed. Results showed that the resin system containing the mixed curing agent possessed an exquisite characteristic when the temperature rose slowly to 363 or 393 K. The system could be preliminarily solidified in an hour and a half at normal temperature, and then in the heating‐up environment, curing reactions initiated by different types of curing agents took place, caused the curing degree to exhibit certain gradient and increase to greater than 95% quickly. The glass transition temperature and the mechanical stability at high testing temperatures of the cured products were therefore improved. When dibutyl sebacate was added into the system as the diluent, the curing reaction was postponed, the curing degree was slightly increased; however, the glass transition temperature and mechanical properties at high temperatures were apparently decreased.
Weight and weight control behaviors during long‐term endometrial cancer survivorship: Results of the Laparoscopic Approach to Cancer of the Endometrium long‐term follow‐up study
Authors: Janda Monika , Forder Peta , Gebski Val , Sandjia Saira , Armfield Nigel , Obemair Andreas 
Published: June 2021

AbstractBackgroundOverweight or obesity is common in endometrial cancer (EC). This study aimed to examine sociodemographic, clinical, and psychosocial characteristics associated with being discontent with current weight and use of weight control methods among long‐term EC survivors.MethodsWomen diagnosed with early‐stage EC who participated in the Laparoscopic Approach to Cancer of the Endometrium (LACE) trial (n = 516) were invited to complete a long‐term follow‐up survey at least 4.5 years after treatment. Chi‐square test and multivariate logistic regression models adjusted for time since surgery were used to determine factors associated with being discontent with current weight.ResultsOn average 9 years after surgery, 190/259 (73%) of participants were currently discontent with their weight, and 146 (56%) had used one or more weight loss methods during the past 12 months. Women who were discontent with their weight were more likely to be younger than 70 years (p < 0.000), and used one or more weight loss methods ever or during the past 12 months (p < 0.000). Among the weight loss methods used, exercise (40.1%), meal reductions (52.7%), or fat/sugar reductions (48.5%) were much more commonly reported than fasting (2.6%) or designated weight loss programs (2.3%).ConclusionsOur study provides evidence that the majority of long‐term EC survivors in this clinical trial population are discontent with their weight and over half continue to use multiple methods to lose weight each year. These data indicate that health professionals and lifestyle educators need to assess weight issues, and develop a tailored plan to address the specific needs of long‐term survivors to assist them become content with their weight after treatment for EC.
Pulmonary sarcoidosis presenting as a solitary nodule mimicking lung cancer
Authors: Taketa Tomoyo , Nakamura Takahito 
Published: June 2021

AbstractNodular sarcoidosis is a rare form of sarcoidosis. It is difficult to differentiate from malignancy based on radiological findings. Histological examination is important, and sarcoidosis should be considered as differential diagnosis of solitary lung nodule.
Chemical Stability of Metal‐organic Frameworks for Applications in Drug Delivery
Authors: Bunzen Hana 
Published: June 2021

AbstractStructural variety, tunable porosity and opportunities for functionalization make metal‐organic frameworks (MOFs) promising materials for applications in medicine as drug delivery systems. In this minireview, an overview of chemical stability of MOF nanocarriers at simulated body conditions is presented. Parameters such as a choice of buffer, pH value, nanoparticle size or surface modification are discussed, as well as analytical methods and approaches suitable to determine the material stability. Last but not least, examples of tuning and improving the chemical stability of MOF nanoparticles for solution‐based drug delivery (oral and intravenous) are presented and examples of MOFs as pH‐responsive drug nanocarriers are given.
Functional Group Modification and Bonding Characteristics of Ti3C2 MXene‐Organic Composites from First‐Principles Calculations
Authors: Zhu Bowen , Wang Kexuan , Gao Haili , Wang Qinhua , Pan Xiaofeng , Fan Mizi 
Published: June 2021

AbstractThe unique physical structure and abundant surface functional groups of MXene make the grafted organic molecules exhibit specific electrical and optical properties. This work reports the results of first‐principles calculations to investigate the composite systems formed by different organic molecular monomers, namely acrylic acid (AA), acrylamide (AM), 1‐aziridineethanol (1‐AD) and glucose, and Ti3C2 MXene saturated with different functional groups, namely −OH, −O and −F. The results show that the interaction between organic molecules and the MXene surface depends on the type of functional groups of the organic molecules, while the strength of the interaction is determined by the type of surface functional groups and the number of hydrogen bonds. The bare Ti3C2 and Ti3C2(OH)2 can readily form strong chemical and hydrogen bonds with AA and AM molecules, leading to strong adsorption energy and a large amount of charge transfer, while the interaction between organic molecules and MXene saturated by −F or −O groups mainly exhibits physical interactions, accompanied by low adsorption energy and a small amount of charge transfer. This research provides theoretical guidance for the synthesis of high‐performance MXene organic composite systems.
Green Process Design for Reductive Hydroformylation of Renewable Olefin Cuts for Drop‐In Diesel Fuels
Authors: Püschel Sebastian , Störtte Sven , Topphoff Johanna , Vorholt Andreas J. , Leitner Walter 
Published: June 2021

AbstractCO2‐neutral fuels are a way to cleaner and more sustainable mobility. Utilization of bio‐syngas via Fischer‐Tropsch (FT) synthesis represents an interesting route for the production of tailormade biofuels. Recent developments in FT catalyst research led to olefin‐enriched products, enabling the synthesis of alcohol‐enriched fuels by reductive hydroformylation of the C=C bond. Several alcohols have already proven to be suitable fuel additives with favorable combustion behavior. Here, a hydroformylation‐hydrogenation sequence of FT‐olefin‐paraffin mixtures was investigated as a potential route to alcohols. A liquid‐liquid biphasic system with a rhodium/3,3’,3’’‐phosphanetriyltris(benzenesulfonic acid) trisodium salt (TPPTS) catalyst system was chosen for effective catalyst recycling. After optimizing reaction conditions with a model substrate consisting of 1‐octene and n‐heptane the conversion of an actual olefin‐containing C5‐C10 FT product fraction to alcohols in continuously operated processes for 37 h was achieved with a total turnover number of 23679.
Disturbance interval modulates the starting point for vegetation succession
Authors: Gustafsson Lena , Johansson Victor , Leverkus Alexandro B. , Strengbom Joachim , Wikberg Sofie , Granath Gustaf 
Published: June 2021

AbstractIncreased frequency and new types of disturbances caused by global change calls for deepened insights into possible alterations of successional pathways. Despite current interest in disturbance interactions there is a striking lack of studies focusing on the implication of decreasing times between disturbances. We surveyed forest‐floor vegetation (vascular plants and bryophytes) in a Pinus sylvestris–dominated, even‐aged production forest landscape, unique because of the presence of stands under a precisely dated disturbance interval gradient, ranging from 0 to 123 yr between clearcutting and a subsequent megafire. Despite a dominance of early‐successional species in all burned stands 5 yr after fire, progression of succession was linked to time since the preceding clearcutting disturbance. This was most clearly seen in increased frequency with time since clearcutting of the dominant, late‐successional dwarf shrub Vaccinium myrtillus, with surviving rhizomes as an important mechanism for postfire recovery. Our results demonstrate the role of legacy species as significant drivers of succession. We conclude that the starting point for succession is modulated by disturbance interval, so that shortened intervals risk reducing development towards late‐successional stages. We suggest that a decrease in long successional sequences caused by more frequent disturbances may represent a general pattern, relevant also for other forest types and ecosystems.