bluuebunny/crossref_metadata_2025 huggingface dataset:
Development of a new genotype–phenotype linked antibody screening system
Authors: Watanabe Takashi , Hata Hikaru , Mochizuki Yoshiki , Yokoyama Fumie , Hasegawa Tomoko , Kumar Naveen , Kurosaki Tomohiro , Ohara Osamu , Fukuyama Hidehiro
Published: November 2024

Antibodies are powerful tools for the therapy and diagnosis of various diseases. In addition to conventional hybridoma-based screening, recombinant antibody-based screening has become a common choice; however, its application is hampered by two factors: (1) screening starts after Ig gene cloning and recombinant antibody production only, and (2) the antibody is composed of paired chains, heavy and light, commonly expressed by two independent expression vectors. Here, we introduce a method for the rapid screening of recombinant monoclonal antibodies by establishing a Golden Gate-based dual-expression vector and in-vivo expression of membrane-bound antibodies. Using this system, we demonstrate the rapid isolation of influenza cross-reactive antibodies with high affinity from immunized mice within 7 days. This system is particularly useful for isolating therapeutic or diagnostic antibodies, for example during foreseen pandemics.
Disordered proteins interact with the chemical environment to tune their protective function during drying
Authors: KC Shraddha , Nguyen Kenny H , Nicholson Vincent , Walgren Annie , Trent Tony , Gollub Edith , Romero-Perez Paulette Sofia , Holehouse Alex S , Sukenik Shahar , Boothby Thomas C
Published: November 2024

The conformational ensemble and function of intrinsically disordered proteins (IDPs) are sensitive to their solution environment. The inherent malleability of disordered proteins, combined with the exposure of their residues, accounts for this sensitivity. One context in which IDPs play important roles that are concomitant with massive changes to the intracellular environment is during desiccation (extreme drying). The ability of organisms to survive desiccation has long been linked to the accumulation of high levels of cosolutes such as trehalose or sucrose as well as the enrichment of IDPs, such as late embryogenesis abundant (LEA) proteins or cytoplasmic abundant heat-soluble (CAHS) proteins. Despite knowing that IDPs play important roles and are co-enriched alongside endogenous, species-specific cosolutes during desiccation, little is known mechanistically about how IDP-cosolute interactions influence desiccation tolerance. Here, we test the notion that the protective function of desiccation-related IDPs is enhanced through conformational changes induced by endogenous cosolutes. We find that desiccation-related IDPs derived from four different organisms spanning two LEA protein families and the CAHS protein family synergize best with endogenous cosolutes during drying to promote desiccation protection. Yet the structural parameters of protective IDPs do not correlate with synergy for either CAHS or LEA proteins. We further demonstrate that for CAHS, but not LEA proteins, synergy is related to self-assembly and the formation of a gel. Our results suggest that functional synergy between IDPs and endogenous cosolutes is a convergent desiccation protection strategy seen among different IDP families and organisms, yet the mechanisms underlying this synergy differ between IDP families.
The effects of nurses' spiritual well-being and death awareness on end-of-life nursing attitudes in Korea: a cross-sectional study
Authors: Kim Hyemin , Choi Seunghye
Published: November 2024

Purpose: This descriptive survey was conducted to identify the factors influencing nurses’ end-of-life nursing attitudes, particularly focusing on spiritual well-being and death awareness among nurses in internal medicine and surgical departments.Methods: In total, 176 nurses from five medical centers in Korea completed a structured questionnaire. Data were collected on nurses’ general characteristics, end-of-life nursing attitudes, spiritual well-being, and awareness of death. Multiple regression analysis was conducted to examine the factors affecting nurses’ end-of-life nursing attitudes.Results: A significant difference in end-of-life nursing attitudes was observed according to the nursing department. Nurses in the internal medicine sector (wards and intensive care units) demonstrated significantly better end-of-life nursing attitudes than those in the surgical sector (surgical intensive care units). Death awareness exhibited a significant positive association with end-of-life nursing attitudes. The factors influencing nurses’ end-of-life nursing attitudes included a higher level of death awareness, and working in an internal medicine ward as opposed to a surgical intensive care unit.Conclusion: Nurses working in internal medicine wards exhibited higher levels of end-of-life nursing attitudes, indicating the need to develop specialized training programs in end-of-life care for surgical departments. In addition, it is necessary to improve nurses’ death awareness.
A study of hybrid deep learning model for stock asset management
Authors: Huo Yuanzhi , Jin Mengjie , You Sicong
Published: November 2024

Crafting a lucrative stock trading strategy is pivotal in the realm of investments. However, the task of devising such a strategy becomes challenging task the intricate and ever-changing situation of the stock market. In recent years, with the development of artificial intelligence (AI), some AI technologies have been proven to be successfully applied in stock price and asset management. For example, long short-term memory networks (LSTM) can be used for predicting stock price variation, reinforcement learning (RL) can be used for control stock trading, however, they are generally used separately and cannot achieve simultaneous prediction and trading. In this study, we propose a hybrid deep learning model to predict stock prices and control stock trading to manage assets. LSTM is responsible for predicting stock prices, while RL is responsible for stock trading based on the predicted price trends. Meanwhile, to reduce uncertainty in the stock market and maximize stock assets, the proposed LSTM model can predict the average directional index (ADX) to comprehend the stock trends in advance and we also propose several constraints to assist assets management, thereby reducing the risk and maximizing the stock assets. In our results, the hybrid model yields an average R2 value of 0.94 when predicting price variations. Moreover, employing the proposed approach, which integrates ADX and constraints, the hybrid model augments stock assets to 1.05 times than initial assets.
School well-being in primary school children with chronic illness. A prospective cohort study
Authors: Schnick-Vollmer Kathleen , Diefenbach Christiane , Imhof Margarete , König Jochem , Schlecht Jennifer , Kuhle Stefan , Urschitz Michael S.
Published: November 2024

Background

Children with chronic illness perform poorer at school, and school well-being (SWB) may mediate this association. We investigated the association between chronic illness and three domains of SWB in children in first grade.

Methods

Data from a German population-based prospective cohort study were used. Children with chronic illness were identified via their preschool health examination and follow-up parent surveys during first grade. Children were grouped as either (i) having current special health care needs (SHCN), (ii) having at least one physician diagnosis of a chronic illness but no current SHCN, or (iii) being healthy. SWB was assessed at the end of first grade and measured by the Questionnaire for the Assessment of Emotional and Social School Experiences of First and Second Grade Primary School Children. Based on SWB theory and previous frameworks, the following subscales were used: School-Related Self-Concept, Social Integration, and Joy of Learning. The sum score for each subscale was converted into area-transformed T-values (mean 50 and standard deviation 10). Associations between chronic illness groups and SWB subscales were investigated by multivariable linear regression models. Effect estimates were adjusted for potential confounding variables and standardized mean differences (SMD) were calculated.

Results

Of the 1,490 children included, 15% had current SHCN and 37% had a physician diagnosis of a chronic illness but no current SHCN. Compared to healthy children, children with SHCN had lower scores for the School-Related Self-Concept and the Joy of Learning subscale (SMD −0.18 for both) but not for the Social Integration subscale. In contrast, children with a chronic condition but no SHCN had lower scores only for the Social Integration subscale (SMD −0.12).

Conclusions

Primary school students with a chronic illness with or without SHCN have lower SWB in some domains compared to their healthy peers. SWB may be a mediator in the association between chronic illness and poor school performance.
Common neural mechanisms supporting time judgements in humans and monkeys
Authors: Rodriguez-Larios Julio , Rassi Elie , Mendoza German , Merchant Hugo , Haegens Saskia
Published: November 2024

There has been an increasing interest in identifying the biological underpinnings of human time perception, for which purpose research in non-human primates (NHP) is common. Although previous work, based on behaviour, suggests that similar mechanisms support time perception across species, the neural correlates of time estimation in humans and NHP have not been directly compared. In this study, we assess whether brain evoked responses during a time categorization task are similar across species. Specifically, we assess putative differences in post-interval evoked potentials as a function of perceived duration in human EEG (N = 24) and local field potential (LFP) and spike recordings in pre-supplementary motor area (pre-SMA) of one monkey. Event-related potentials (ERPs) differed significantly after the presentation of the temporal interval between “short” and “long” perceived durations in both species, even when the objective duration of the stimuli was the same. Interestingly, the polarity of the reported ERPs was reversed for incorrect trials (i.e., the ERP of a “long” stimulus looked like the ERP of a “short” stimulus when a time categorization error was made). Hence, our results show that post-interval potentials reflect the perceived (rather than the objective) duration of the presented time interval in both NHP and humans. In addition, firing rates in monkey’s pre-SMA also differed significantly between short and long perceived durations and were reversed in incorrect trials. Together, our results show that common neural mechanisms support time categorization in NHP and humans, thereby suggesting that NHP are a good model for investigating human time perception.
NU7441, a selective inhibitor of DNA-PKcs, alleviates intracerebral hemorrhage injury with suppression of ferroptosis in brain
Authors: Gong Xiyu , Peng Cuiying , Zeng Zhou
Published: November 2024

Neuronal apoptosis, oxidative stress, and ferroptosis play a crucial role in the progression of secondary brain injury following intracerebral hemorrhage (ICH). Although studies have highlighted the important functions of DNA-dependent protein kinase catalytic subunit (DNA-PKcs) in various experimental models, its precise role and mechanism in ICH remain unclear. In this study, we investigated the effects of DNA-PKcs on N2A cells under a hemin-induced hemorrhagic state in vitro and a rat model of collagenase-induced ICH in vivo. The results revealed a notable increase in DNA-PKcs levels during the acute phase of ICH. As anticipated, DNA-PKcs and γ-H2AX had consistent upregulations after ICH. Administration of NU7441, a selective inhibitor of DNA-PKcs, alleviated neurological impairment, histological damage, and ipsilateral brain edema in vivo. Mechanistically, NU7441 attenuated neuronal apoptosis both in vivo and in vitro, alleviated oxidative stress by decreasing ROS levels, and suppressed ferroptosis by enhancing GPX4 activity. These results suggest that inhibition of DNA-PKcs is a promising therapeutic target for ICH.
Metabolomic analysis of rice cultivars from diverse production areas
Authors: Nie Xuheng , Yang Shuiyan , Guo Ying , Wang Xin , Wen Yunman , Liu Chao , Liu Fuying
Published: November 2024

Rice grown in Yunnan Province is known for its excellent taste and consumer preference. However, the metabolite composition of this unique rice remains unclear. In this study, the metabolic profile of different rice planted in various producing regions was evaluated. A total of 1,005 metabolites were identified, including nucleotides and their derivatives, amino acids and their derivatives, alkaloids, organic acids, phenolic acids, lignans and coumarins, lipids, terpenoids, quinones, flavones, tannins, and others. Procucing region and varieties can be clearly distinguished on the PCA diagram. Differential metabolites accumulated in the MSD502 vs. MSR88 (138)/LHHG (234)/LHR88 (188) comparison groups. The results in this study provide scientific information for the origin tracing and variety differentiation of raw rice materials.
Serum metabolite profiles of thyroid autoimmunity patients in early pregnancy
Authors: Chen Zhaoying , Lin Zhenyu , Gao Yiyang , Jin Xiaohui , Chen Kan , Zhang Chenxi , Shan Zhongyan , Teng Weiping , Li Jing
Published: November 2024

Background

Research on serum metabolite profiles in thyroid autoimmunity (TAI) patients during early pregnancy is currently limited.

Aim & Methods

The current study aimed to identify differential serum metabolites and assess the relationship between pregnancy outcomes and metabolic abnormalities in individuals with TAI. This research included 26 pregnant women with TAI and 30 healthy controls (HC). We employed a liquid chromatograph mass spectrometer (LC-MS) to analyze changes between the two groups.

Results

Newborns in the TAI patients had lower birth weights than those in the control group (P = 0.007). We identified 92 differential metabolites (including 50 upregulated and 42 downregulated) belonging to amino acids, fatty acyls, glycerophosphocholines, steroid and other categories and four significantly enrichment Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways including taurine and hypotaurine metabolism, citrate cycle (TCA cycle), glyoxylate and dicarboxylate metabolism and 2-oxocarboxylic acid metabolism. We further identified 15 characteristic metabolites (6-Methylquinoline, D-erythrose 4-phosphate, 4-Hydroxyisoleucine, phosphatidylcholine (PC)(16:2e/16:0), N3,N4-Dimethyl-L-arginine, N-desmethyltramadol, 3-Methoxybenzaldehyde, sphingomyelin (SM)(d14:3/28:2), gamma-Glutamylleucine, NSI-189, 3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxopropyl propionate, lysophosphatidylinositol (LPI) 16:0, cis-Aconitic acid, polyamide (PA)(18:1/18:2) and fatty acyl esters of hydroxy fatty acid (FAHFA)(17:0/18:0)) using least absolute shrinkage and selection operator (LASSO) regression. Correlation analyses revealed that 6-Methylquinoline, D-erythrose 4-phosphate, gamma-Glutamylleucine, and LPI 16:0 exhibited a positive correlation with anemia before delivery, while 3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxopropyl propionate had a negative correlation. LPI 16:0 displayed a positive correlation with uric acid (UA) during both middle and late pregnancy, whereas 3-Methoxybenzaldehyde exhibited a negative correlation with UA in late pregnancy. Cis-Aconitic acid showed a positive correlation with fasting blood glucose (FBG) in middle pregnancy. Conversely, 6-Methylquinoline and 4-Hydroxyisoleucine had a negative correlation with birth weight. Thyroid autoantibodies were found to be associated with 14 metabolites identified using LASSO, with the exception of PA (18:1/18:2).

Conclusions

Our findings provide new evidence supporting the early screening of serum metabolites and their potential for predicting adverse pregnancy outcomes in women with TAI.
Oral health manifestations and the perceived quality of life among Saudi children: a cross-sectional study
Authors: Sabbagh Heba Jafar , Abudawood Shahad N.
Published: November 2024

Background

This cross-sectional study addresses scarcity of evidence on oral health issues among Saudi children and their impact on quality of life (OHRQL). We aimed to investigate parental reports of oral health problems in children and their effect on their OHQRL.

Methods

Parents of children aged 2–11-years from Five-Saudi regions participated from February 2021 to July 2021 by completing an electronic, self-administered questionnaire structured according to World Health Organization-Oral Health Questionnaire for children. It comprises questions on children experiencing oral pain/discomfort, oral lesions/manifestations and reduction in their OHRQL.

Results

Among 1,516 responders, 1,107 (73.0%) reported that their children experienced toothache/discomfort. The possibility of parents reporting toothache/discomfort or oral manifestations decreased with younger children. For children aged 2–5 years, the odds ratio (AOR) was 0.18 (95% CI [0.13–0.24], P < 0.001) for toothache and 0.58 (95% CI [0.45–0.74], P < 0.001) for oral manifestations. For children aged 6–8 years, the AOR was 0.57 (95% CI [0.4–0.81], P = 0.002) for toothache. Additionally, parents of younger children less frequently reported reduced OHRQL with AORs of 0.58 (95% CI [0.45–0.73], P < 0.001) for children aged 2–5 years and 0.64 (95% CI [0.49–0.83], P < 0.001) for those aged 6–8 years. Lower parental education increased AORs, with values of 1.575 (95% CI [1.196–2.074], P = 0.001) and 1.505 (95% CI [1.208–1.876], P < 0.001) for younger and 6–8-year-old children, respectively.

Conclusion

Results revealed notable prevalence of toothache/discomfort and oral manifestations in children reported by parents, which was related to age and parental education; ultimately leading to reduction in their OHRQL.
The DUF348 domains of resuscitation promoting factor 2 play important roles in the enzymatic and biological activities in Rhodococcus erythropolis KB1
Authors: Fu Jianhui , Chen Jixiang , Wang Yonggang , Luo Dan , Wang Tianfeng , Zhang Qingfang
Published: November 2024

Rhodococcus erythropolis KB1 is a member of the Actinomycetota and a petroleum-degrading bacterium, isolated from soil contaminated with petroleum products. The resuscitation-promoting factors (Rpf) widely exist among Actinomycetota, which revive the viable but nonculturable (VBNC) state cells and facilitate growth of normal cells. The Rpf2 of the R. erythropolis KB1 is the most complex Rpf protein, which consists of the conserved Rpf domain, one G5 domain and three DUF348 domains. The protein demonstrates muralytic activity and growth-promoting and resuscitation effect, but the exact roles of these DUF348 domains in the enzymic and biological activities remain unclear. In this paper, the recombinant plasmids containing rpf2 genes with different DUF348 domain deletion were constructed and expressed in Escherichia coli. The enzymatic and biological activities of the mutated Rpf2 proteins were examined. The results showed that the enzymatic activities of the mutated Rpf2 proteins with 1, 2, and 3 DUF348 deletion decreased by 26.27%, 38.17%, and 42.56% respectively when compared with that of the wild-type Rpf2. A negative correlation between the number of DUF348 deletions and the growth-promoting and resuscitation effect on R. erythropolis KB1 cells were also observed. The muralytic activities of the mutated Rpf2 proteins showed stability at the temperature range of 20 °C to 40 °C, but showed sharp declines at 50 °C, with the activity dropping by 50.07% to 90.06%, and complete loss at 70 °C and 80 °C, underscoring importance of the DUF348 in thermal stability of the Rpf2. Zn2 + and Mn2 + slightly enhanced the muralytic activity, while Mg2 +, Ca2 + and Co2 + had negligible effects. These findings offered significant insights into mechanism of the Rpf action, emphasizing the critical role of the DUF348 domain.
Biomass, Carbon Stock and Economic Value of Carbon Sequestration Resulting from Forest and Landscape Restoration Actions in Semi-arid Ecosystems of Burkina Faso
Authors: Kaboré Sibiry Albert , Quillérou Emmanuelle , Maiga-Yaleu Stéphanie , Kairé Maguette , Moussa Ibrahim Bouzou , Issa Oumarou Malam , Hauswirth Damien , Nacro Hassan Bismarck
Published: November 2024

Plants contribute to mitigate global warming by capturing CO2 from the atmosphere to produce biomass. This study aims to quantify the carbon stock sequestered in woody biomass of managed ecosystems in the semi-arid part of Burkina Faso (West Africa), and assess the economic value of additional carbon sequestered. Study sites include one managed forest and three agricultural lands restored from degraded soil. Forest and landscape restoration activities have been implemented over several decades and include zaï, stone barriers, natural regeneration and tree planting. Woody plant biomass is estimated using allometric equations which have been adapted to the case study site species and ecological conditions. The managed forest of the case study has an estimated 19.3-40.8 t/ha of woody biomass after 45 years. This corresponds to 0.7-1.5 tonne of CO2 per hectare per year stored on average, i.e. a value of $575-7,243 per hectare per year at current carbon prices. Payments to land users for carbon storage services may help provide alternative livelihoods and incentives for reforestation effort.
The Dynamics of Trade and Investment on the Expansion of BRICS Economies
Authors: Daniel Akinyele Olawale , Toluwabori Lawal , Owolabi Soyoye Olutayo , Olatunde Olufemi
Published: November 2024

Purpose: The dynamics of trade and investment in the context of BRICS economies, provide crucial insights into how emerging economies influence economic growth and development and unlock the potential for cooperation among member states. BRICS has become a major global key player due to the advantage in demographic, geographic and economic attributes peculiar to the economies. Deeper ties and cooperation among BRICS have fostered growth and development from trade openness, capital inflow, acquiring technological know-how and administrative abilities to growing economies. Hence, the study assessed the dynamics of trade and investment in the expansion of BRICS economies
Methodology: The study employed cross-sectional models via the panel-corrected standard error, Discrol and Kraay and Augmented Mean Group in the context of BRICS and BRICS+ countries between 1990 and 2022. Thus, contributes to a deeper understanding of the economic integration and performance of emerging markets. Furthermore, the study evaluates the Dumitrescu–Hurlin panel causality to answer the question of potential causation among the variables.
Results: Findings reveal that trade and FDI have a dynamic impact on the expansion of BRICS economies. An increase in BRICS membership situates an increase in market coverage, the spread of the spillover effect, and deeper ties and cooperation among BRICS. Trade openness has a positive and significant impact on the BRICS+ economies. Meanwhile, FDI has a negative and significant impact on the BRICS+ economies. There is a bidirectional relationship between trade openness, foreign direct investment and economic growth in the expansion of BRICS economies.
Conclusion: This study concludes that trade openness and foreign direct investment should be used to foster more of deeper ties and cooperation than economic profit among BRICS.
Specific zinc finger‐induced methylation of PD‐L1 promoter inhibits its expression
Authors: Li Xue , Wang Zhenni , Huang Jiansheng , Luo Huazao , Zhu Sibo , Yi Han , Zheng Liuhai , Hu Bo , Yu Lili , Li Lingzhi , Xie Jun , Zhu Naishuo
Published: December 2018

DNA methylation of promoter regions is often associated with epigenetic silencing of gene expression, and DNA methyltransferase (DNMTs) has been used to suppress gene expression. In order to explore the synergistic roles of two methyltransferase members Dnmt3a and Dnmt1, we constructed expression plasmid that could express a recombinant DNMTs consisting of the C‐terminal domains of both Dnmt3a and Dnmt1 fused to a zinc finger domain which binds to the PD‐L1 promoter of human prostate cancer cells (DU145). Programmed death ligand 1 (PD‐L1, B7‐H1, CD‐274) is a transmembrane protein widely expressed on antigen‐presenting and other immune cells. The interaction of PD‐L1 with its receptor PD‐1 is considered an ‘immune checkpoint' for possible cancer therapy. DU145 cells treated with the Dnmt3aC‐1C plasmid showed significantly reduced expression of PD‐L1 as compared to Dnmt3aC or Dnmt1C alone. Our results show that the fusion of Dnmt1 improves the methylation activity of Dnmt3a and enhances its biological functions. This combinatorial strategy can be used to better control PD‐L1 expression to support cytotoxic T lymphocytes (CTL) response against tumors.
Natalizumab versus fingolimod and dimethyl fumarate in multiple sclerosis treatment
Authors: Vollmer Brandi L. , Nair Kavita V. , Sillau Stefan , Corboy John R. , Vollmer Timothy , Alvarez Enrique
Published: December 2018

Objective

To compare 2‐year effectiveness and discontinuation of natalizumab (NTZ) versus fingolimod (FTY) and dimethyl fumarate (DMF) in the treatment of multiple sclerosis (MS).

Methods

Patients prescribed NTZ, FTY, or DMF at the Rocky Mountain MS Center at University of Colorado were identified. Clinician‐reported data were retrospectively collected. Outcomes include a composite effectiveness measure consisting of new T2 lesion, gadolinium‐enhancing lesion, and/or clinical relapse, individual effectiveness outcomes and discontinuation over 2 years. Logistic regression was used for data analysis on patients matched by propensity scores and using ATT doubly robust weighting estimator.

Results

A total of 451, 271, and 342 patients were evaluated on NTZ, FTY, and DMF over 2 years, respectively. Patients had a mean age of 39.8 (NTZ), 42.5(FTY), and 45.8 (DMF) years; were predominantly female (76.7% NTZ; 72.0% FTY; 69.6% DMF); and had a mean MS disease duration of 11–12 years for all groups. At ≤24 months, 22.2%, 34.7%, and 33.6% experienced a new T2 lesion, gadolinium‐enhancing lesion, and/or clinical relapse on NTZ, FTY, and DMF, respectively. Using ATT doubly robust weighting estimator, FTY versus NTZ and DMF versus NTZ had an odds ratio of 2.00 (95%CI:[1.41–2.85], P < 0.001) and 2.38 [95% CI: 1.68–3.37], P < 0.001) respectively, for experiencing a new T2 lesion, gadolinium enhancing lesion, and/or clinical relapse. At ≤24 months, 32.6%, 34.3%, and 47.1% discontinued NTZ, FTY, and DMF, respectively. The majority of discontinuations were due to becoming JCV positive(12.6%) for NTZ and due to adverse events for both FTY(17%) and DMF(24.0%).

Interpretation

NTZ appears to be more effective and tolerable than FTY and DMF.
Nitrogen Tuned Charge Redistribution and Orbital Reconfiguration in Fe/MgO Interface for Significant Interfacial Magnetism Tunability
Authors: Wang Shiru , Yao Mingke , Li Zirun , Feng Chun , Wang Lei , Tang Xiaolei , Kang Peng , Zhang Bin , Mi Wenbo , Yu Guanghua
Published: December 2018

Modulating the orbital configuration of ferromagnetic metal (FM)/metal‐oxide (MO) interfaces is crucial for obtaining a controllable interfacial magnetism for constructing energy‐efficient magnetic memory and logic devices. The traditional works of orbital regulation depend on external fields, such as electric field, temperature field, and stress field. This work proposes a novel orbital modulation strategy by modifying the coordination environment of FM/MO interface with nitrogen (N) incorporation. By preparing a Fe/MgO bilayer at a N2 atmosphere, N atoms occupy the interstitial sites of the Fe lattice, which induces a charge redistribution at the Fe/MgO interface and toggles a prominent orbital reconstruction of Fe with an increment of out‐of‐plane orbital occupancy. Therefore, the orbital magnetism is tuned effectively, which remarkably strengthens the interfacial magnetic anisotropy energy by 0.6 erg cm−2 and enables a broad magnetic anisotropy tunability from in‐plane to perpendicular direction. Besides, the Fe thickness for maintaining perpendicular magnetic anisotropy extends from less than 1 to 3 nm, which is favorable for improving the signal‐to‐noise ratio and stability of devices in nanoscale. These findings provide an external‐field‐independent strategy of orbital engineering for tailoring obit‐controlled performance at FM/MO heterointerfaces, which practically advances the magnetic storage and logic devices.
Manipulation of Edge‐Site Fe–N2 Moiety on Holey Fe, N Codoped Graphene to Promote the Cycle Stability and Rate Capacity of Li–S Batteries
Authors: Wang Yazhou , Adekoya David , Sun Jiqing , Tang Tianyu , Qiu Hailong , Xu Li , Zhang Shanqing , Hou Yanglong
Published: December 2018

Graphene‐based materials have been widely studied to overcome the hurdles of Li–S batteries, but suffer from low adsorptivity to polar polysulfide species, slow mass transport of Li+ ions, and severe irreversible agglomeration. Herein, via a one‐step scalable calcination process, a holey Fe, N codoped graphene (HFeNG) is successfully synthesized to address these problems. Diverging by the holey structures, the Fe atoms are anchored by four N atoms (Fe–N4 moiety) or two N atoms (Fe–N2 moiety) localized on the graphene sheets and edge of holes, respectively, which is confirmed by X‐ray absorption spectroscopy and density functional theory calculations. The unique holey structures not only promote the mass transport of lithium ions, but also prohibit the transportation of polysulfides across these additional channels via strong adsorption forces of Fe–N2 moiety at the edges. The as‐obtained HFeNG delivers a high rate capacity of 810 mAh g−1 at 5 C and a stable cycling performance with the capacity decay of 0.083% per cycle at 0.5 C. The concept of holey structure and introduction of polar moieties could be extended to other carbon and 2D nanostructures for energy storage and conversion devices such as supercapacitors, alkali‐ion batteries, metal–air batteries, and metal–halogen batteries.
Retarding the Crystallization of a Nonfullerene Electron Acceptor for High‐Performance Polymer Solar Cells
Authors: Li Wei , Chen Mengxue , Zhang Zhuohan , Cai Jinlong , Zhang Huijun , Gurney Robert S. , Liu Dan , Yu Jiangsheng , Tang Weihua , Wang Tao
Published: December 2018

Developing a fundamental understanding of the molecular order within the photoactive layer, and the influence therein of solution casting conditions, is a key factor in obtaining high power conversation efficiency (PCE) polymer solar cells. Herein, the molecular order in PBDB‐T:INPIC‐4F nonfullerene solar cells is tuned by control of the molecular organization time during film casting, and the crucial role of retarding the crystallization of INPIC‐4F in achieving high performance is demonstrated. When PBDB‐T:INPIC‐4F is cast with the presence of solvent vapor to prolong the organization time, INPIC‐4F molecules form spherulites with a polycrystalline structure, resulting in large phase separation and device efficiency below 10%. On the contrary, casting the film on a hot substrate is effective in suppressing the formation of the polycrystalline structure, and encourages face‐on π−π stacking of INPIC‐4F. This molecular transformation of INPIC‐4F significantly enhances the absorption ability of INPIC‐4F at long wavelengths and facilitates a fine phase separation to support efficient exciton dissociation and balanced charge transport, leading to the achievement of a maximum PCE of 13.1%. This work provides a rational guide for optimizing nonfullerene polymer solar cells consisting of highly crystallizable small molecular electron acceptors.
Edge‐Functionalized Graphene Nanoplatelets as Metal‐Free Electrocatalysts for Dye‐Sensitized Solar Cells
Authors: Kweon Do Hyung , Baek Jong‐Beom
Published: December 2018

A scalable and low‐cost production of graphene nanoplatelets (GnPs) is one of the most important challenges for their commercialization. A simple mechanochemical reaction has been developed and applied to prepare various edge‐functionalized GnPs (EFGnPs). EFGnPs can be produced in a simple and ecofriendly manner by ball milling of graphite with target substances (X = nonmetals, halogens, semimetals, or metalloids). The unique feature of this method is its use of kinetic energy, which can generate active carbon species by unzipping of graphitic CC bonds in dry conditions (no solvent). The active carbon species efficiently pick up X substance(s), leading to the formation of graphitic CX bonds along the broken edges and the delamination of graphitic layers into EFGnPs. Unlike graphene oxide (GO) and reduced GO (rGO), the preparation of EFGnPs does not involve toxic chemicals, such as corrosive acids and toxic reducing agents. Furthermore, the prepared EFGnPs preserve high crystallinity in the basal area due to their edge‐selective functionalization. Considering the available edge X groups that can be selectively employed, the potential applications of EFGnPs are unlimited. In this context, the synthesis, characterizations, and applications of EFGnPs, specifically, as metal‐free carbon‐based electrocatalysts for dye‐sensitized solar cells (DSSCs) in both cobalt and iodine electrolytes are reviewed.
The Development of Cocatalysts for Photoelectrochemical CO2 Reduction
Authors: Chang Xiaoxia , Wang Tuo , Yang Piaoping , Zhang Gong , Gong Jinlong
Published: December 2018

The ever‐increasing anthropogenic consumption of fossil fuels and the resulting large emission of CO2 have led to a severe energy crisis and climate change. Photocatalytic reduction of CO2 into fuels using solar energy is considered as a promising way to address these two problems. In particular, photoelectrochemical (PEC) reduction of CO2 can integrate and optimize the advantages of both photocatalysis and electrocatalysis for improved conversion efficiency and selectivity. In addition to the charge generation and separation, the efficient reduction of CO2 on the surface of a semiconductor‐based photoelectrode remains a scientifically critical challenge, which can be greatly enhanced by the surface modification of cocatalysts. Herein, the recent developments of cocatalysts in PEC CO2 reduction over semiconductor‐based photoelectrodes are described, and the basic principles of PEC CO2 reduction and the function of the cocatalyst in photoelectrocatalysis are discussed. The structure optimization between the photoelectrodes and the cocatalysts is also summarized since the loading of cocatalyst may shield the incident light and hinder charge transfer between them. Furthermore, the challenges and perspectives for PEC reduction of CO2 are also presented.
Recent Progress in Electrically Rechargeable Zinc–Air Batteries
Authors: Fu Jing , Liang Ruilin , Liu Guihua , Yu Aiping , Bai Zhenyu , Yang Lin , Chen Zhongwei
Published: December 2018

Over the past decade, the surging interest for higher‐energy‐density, cheaper, and safer battery technology has spurred tremendous research efforts in the development of improved rechargeable zinc–air batteries. Current zinc–air batteries suffer from poor energy efficiency and cycle life, owing mainly to the poor rechargeability of zinc and air electrodes. To achieve high utilization and cyclability in the zinc anode, construction of conductive porous framework through elegant optimization strategies and adaptation of alternate active material are employed. Equally, there is a need to design new and improved bifunctional oxygen catalysts with high activity and stability to increase battery energy efficiency and lifetime. Efforts to engineer catalyst materials to increase the reactivity and/or number of bifunctional active sites are effective for improving air electrode performance. Here, recent key advances in material development for rechargeable zinc–air batteries are described. By improving fundamental understanding of materials properties relevant to the rechargeable zinc and air electrodes, zinc–air batteries will be able to make a significant impact on the future energy storage for electric vehicle application. To conclude, a brief discussion on noteworthy concepts of advanced electrode and electrolyte systems that are beyond the current state‐of‐the‐art zinc–air battery chemistry, is presented.
Robust Negative Electrode Materials Derived from Carbon Dots and Porous Hydrogels for High‐Performance Hybrid Supercapacitors
Authors: Wei Ji‐Shi , Ding Chen , Zhang Peng , Ding Hui , Niu Xiao‐Qing , Ma Yuan‐Yuan , Li Chao , Wang Yong‐Gang , Xiong Huan‐Ming
Published: December 2018

Hybrid supercapacitors generally show high power and long life spans but inferior energy densities, which are mainly caused by carbon negative electrodes with low specific capacitances. To improve the energy densities, the traditional methods include optimizing pore structures and modifying pseudocapacitive groups on the carbon materials. Here, another promising way is suggested, which has no adverse effects to the carbon materials, that is, constructing electron‐rich regions on the electrode surfaces for absorbing cations as much as possible. For this aim, a series of hierarchical porous carbon materials are produced by calcinating carbon dots–hydrogel composites, which have controllable surface states including electron‐rich regions. The optimal sample is employed as the negative electrode to fabricate hybrid supercapacitors, which show remarkable specific energy densities (up to 62.8–90.1 Wh kg−1) in different systems.
An Oxygen‐Vacancy‐Rich Semiconductor‐Supported Bifunctional Catalyst for Efficient and Stable Zinc–Air Batteries
Authors: Liu Guihua , Li Jingde , Fu Jing , Jiang Gaopeng , Lui Gregory , Luo Dan , Deng Ya‐Ping , Zhang Jing , Cano Zachary P. , Yu Aiping , Su Dong , Bai Zhengyu , Yang Lin , Chen Zhongwei
Published: December 2018

The highly oxidative operating conditions of rechargeable zinc–air batteries causes significant carbon‐support corrosion of bifunctional oxygen electrocatalysts. Here, a new strategy for the catalyst support design focusing on oxygen vacancy (OV)‐rich, low‐bandgap semiconductor is proposed. The OVs promote the electrical conductivity of the oxide support, and at the same time offer a strong metal–support interaction (SMSI), which enables the catalysts to have small metal size, high catalytic activity, and high stability. The strategy is demonstrated by successfully synthesizing ultrafine Co‐metal‐decorated 3D ordered macroporous titanium oxynitride (3DOM‐Co@TiOxNy). The 3DOM‐Co@TiOxNy catalyst exhibits comparable activities for oxygen reduction and evolution reactions, but much higher cycling stability than noble metals in alkaline conditions. The zinc–air battery using this catalyst delivers an excellent stability with less than 1% energy efficiency loss over 900 charge–discharge cycles at 20 mA cm−2. The high stability is attributed to the strong SMSI between Co and 3DOM‐TiOxNy which is verified by density functional theory calculations. This work sheds light on using OV‐rich semiconductors as a promising support to design efficient and durable nonprecious electrocatalysts.
Active Thermal Control of 5 nm Gap Terahertz Antennas
Authors: Yun Hyeong Seok , Jeong Jeeyoon , Kim Dasom , Kim Dai‐Sik
Published: December 2018

Metallic nanostructures are combined with various active materials for electrical, optical, and thermal modulations of their optical properties. In particular, for the thermal modulation, deformation of metallic nanostructures at high temperatures limits the applications to relatively low temperatures, where thermal expansion of metals is negligible. Here, a unique regime is reported where terahertz (THz) waves transmitting through 5 nm wide slot antennas can be significantly modulated via controlled thermal expansion of metals without active materials. The normalized amplitude is modulated by 20% and the resonant frequency by 22% at an elevated temperature of 150 °C, indicating a decrease in the gap width by 50%. The extreme width‐to‐length ratio of the THz slot antennas compensates the small thermal expansion coefficient of metals, enabling the gap width to be considerably changed. COMSOL simulation and coupled‐mode method (CMM) calculation quantitatively support the experimental data. This works suggests a new possibility of thermally active metallic nanostructures.
Ultrawide‐Bandgap Amorphous MgGaO: Nonequilibrium Growth and Vacuum Ultraviolet Application
Authors: Dong Mei , Zheng Wei , Xu Cunhua , Lin Richeng , Zhang Dan , Zhang Zhaojun , Huang Feng
Published: December 2018

New ultrawide‐bandgap (>6.0 eV) photosensitive materials are in urgent need to meet the requirements of vacuum‐ultraviolet (VUV) photodetection applied in deep space exploration. Here, a nonequilibrium growth method is reported to fabricate amorphous MgGaO (a‐MgGaO) films with an ultrawide bandgap of 6.0 eV and an ultrashort absorption edge of 206 nm by alloying MgO and Ga2O3. By combining the as‐grown films with p‐type graphene (p‐Gr) which serves as a transparent conductor, a vacuum‐ultraviolet photovoltaic detector of p‐Gr/a‐MgGaO/n‐SiC (n‐type SiC) is constructed. The device exhibits an excellent VUV spectral selectivity with a VUV (185 nm)/UV (250 nm) rejection ratio exceeding 103, high photoresponsivity (≈10.3 mA W−1) under 0 V bias, and ultrafast response and recovery time of 1.94 µs and 0.6 ms, respectively. The reported nonequilibrium growth method is expected to have tremendous potential in fabricating ultrawide‐bandgap oxide compounds, and finally facilitate future deep space exploration.
Panchromatic All‐Polymer Photodetector with Tunable Polarization Sensitivity
Authors: Sen Pratik , Yang Ruonan , Rech Jeromy J. , Feng Yuanxiang , Ho Carr Hoi Yi , Huang Jinsong , So Franky , Kline R. Joseph , You Wei , Kudenov Michael W. , O'Connor Brendan T.
Published: December 2018

In this report, a high‐performance all‐polymer organic photodetector that is sensitive to linearly polarized light throughout the visible spectrum is demonstrated. The active layer is a bulk heterojunction composed of an electron donor polymer PBnDT‐FTAZ and acceptor polymer P(NDI2OD‐T2) that have complementary spectral absorption resulting in efficient detection from 350 to 800 nm. The blend film exhibits good ductility with the ability to accommodate large strains of over 60% without fracture. This allows the film to undergo large uniaxial strain resulting in in‐plane alignment of both polymers making the film optically anisotropic and intrinsically polarization sensitive. The films are characterized by UV–vis spectroscopy and grazing incidence wide‐angle X‐ray scattering showing that both polymers have similar in‐plane backbone alignment and maintain packing order after being strained. The films are integrated into devices and characterized under linear polarized light. The strain‐oriented detectors have maximum photocurrent anisotropies of 1.4 under transverse polarized light while maintaining peak responsivities of 0.21 A W−1 and a 3 dB cutoff frequency of ≈1 kHz. The demonstrated performance is comparable to the current state of the art all‐polymer photodetectors with the added capability of polarization sensitivity enabling new application opportunities.
Extended Exposure to Stiff Microenvironments Leads to Persistent Chromatin Remodeling in Human Mesenchymal Stem Cells
Authors: Killaars Anouk R. , Grim Joseph C. , Walker Cierra J. , Hushka Ella A. , Brown Tobin E. , Anseth Kristi S.
Published: December 2018

Bone marrow derived human mesenchymal stem cells (hMSCs) are a promising cell source for regenerative therapies; however, ex vivo expansion is often required to achieve clinically useful cells numbers. Recent results reveal that when MSCs are cultured in stiff microenvironments, their regenerative capacity can be altered in a manner that is dependent on time (e.g., a mechanical dosing analogous to a chemical one). It is hypothesized that epigenomic modifications are involved in storing these mechanical cues, regulating gene expression, and ultimately leading to a mechanical memory. Using hydrogels containing an allyl sulfide cross‐linker and a radical‐mediated addition‐fragmentation chain transfer process, in situ softened hMSC‐laden hydrogels at different time points are achieved and the effects of short‐term and long‐term mechanical dosing on epigenetic modifications in hMSCs are quantified. Results show that histone acetylation and chromatin organization adapt rapidly after softening and can be reversible or irreversible depending on time of exposure to stiff microenvironments. Furthermore, epigenetic modulators are differentially expressed depending on the culture history. Collectively, these experiments suggest that epigenetic remodeling can be persistent and might be a memory keeper.
Data envelopment analysis approach to targeting in sustainable chemical process design: Application to liquid fuels
Authors: Rodríguez‐Vallejo Daniel F. , Galán‐Martín Ángel , Guillén‐Gosálbez Gonzalo , Chachuat Benoît
Published: December 2018

This article presents a framework for combining data envelopment analysis with process systems engineering tools, aiming to improve the sustainability of chemical processes. Given a set of chemical processes, each characterized by performance indicators, the framework discriminates between efficient and inefficient processes in regard to these indicators. We develop an approach to quantifying the closest targets for an inefficient process to become efficient, while preventing unrealistic targets by accounting for thermodynamic limitations represented as mass and energy flow constraints. We demonstrate the capabilities of the framework by assessing a methanol production process with captured CO2 and fossil‐based H2, in comparison to 10 alternatives. The methanol fuel is found to be suboptimal in comparison with other fuels. Making it competitive would require a significant (unrealistic in the short term) reduction in H2 price. Alternatively, the methanol fuel could become competitive upon combining fossil‐based H2 with sustainably produced H2 via wind‐powered electrolysis. © 2018 American Institute of Chemical Engineers AIChE J, 65: e16480 2019
New approach for evaluating the risk of hydrate formation during transport of hydrocarbon hydrate formers of sI and sII
Authors: Aromada Solomon Aforkoghene , Kvamme Bjørn
Published: December 2018

Classical industrial hydrate risk evaluation schemes are commonly based on water dew‐point calculation. This method ignores another (new) route to hydrate formation based on adsorption of water onto rusty surfaces. Maximum allowable water contents in pure and mixtures of hydrate formers of Structures I and II hydrocarbons to avoid the risk of hydrate nucleation during pipeline transport have been studied using both the dew‐point method and the new approach of adsorption of water onto hematite (rust). The estimates from this study suggest that the new approach (adsorption of water onto the rusty internal walls of pipelines and equipment) dominates. Thus, this approach could have an impact on designing natural gas dehydration systems. Free energy analysis has also been performed to show which molecule forms hydrate first based on the combined first and second laws of thermodynamics in terms of Gibbs free energy. © 2018 American Institute of Chemical Engineers AIChE J, 65: 1097–1110, 2019