bluuebunny/crossref_metadata_2025 huggingface dataset:
Cardamom Derived Phytochemicals against Mycobacterium tuberculosis Causing Tuberculosis
Authors: Patra Bijan Pumar , Palai Bapujee , Mishra Sarthak Siddhant , Jha Sunil , Bhattacharyay Dipankar
Published: July 2020

Tuberculosis is a disease caused by severe infections by Mycobacterium tuberculosis, a pathogenic bacteria. These bacteria cause infections in humans and thus lead to an unhealthy life. Phytochemicals from cardamom plant extract are traditionally used to cure Tuberculosis. Molecular docking method applied using “Biovia Discovery Studio”. “High positive values of -CDOCKER energy and -CDOCKER interaction energy” suggested that acetic acid can effectively deactivate histidinol dehydrogenase (H37Rv) thereby interrupting the life cycle of the organism.
Eclipta alba L. Derived Phytochemicals against Campylobacter Causing Diarrhea
Authors: Nayak Sanchayita , Sahu Subhashree , Biswal Mukesh Kumar , Dash Sonali , Parida Sagarika , Pattanayak Sabita
Published: July 2020

Phytochemicals from Eclipta alba L. plant extract are traditionally used to cure Diarrhea. It is caused by Campylobacter. Molecular docking method applied using “Biovia Discovery Studio”. “High positive values of -CDocker energy and -CDocker interaction energy” suggested that 6, 10, 14-trimethyl-2-pentadecanone can effectively deactivate the Argininedecarboxylase enzyme (protein database code 3N29) thereby interrupting the life cycle of the organism.
Potency of Phytochemicals from Guava (Psidium guajava) Seeds against Escherichia coli to Cure Diarrhoea: An in silico Analysis
Authors: Nayak Barsha , Mishra Lopita , Mishra Bibhu Prasad , Pradhan Srimay , Behera Bhagyeswari , Pandey Mukundjee
Published: July 2020

Machine learning to deep learning is the enduring upgrading in the pharmaceutical research field. Phytochemicals from Psidium guajava plant extract are traditionally used to cure Diarrhoea. The causative agent of the disease is Escherichia coli. To identify the secondary metabolites (ligand) which is the main responsive compound that have the capacity to inhibit the growth of microorganism was carried by molecular docking method “Biovia Discovery Studio”. “High positive values of -CDOCKER energy and -CDOCKER interaction energy” suggested that Heptadecanoic acid can effectively deactivate the shikimate dehydrogenase enzyme thereby interrupting the life cycle of the organism.
TOR kinase activity in Chlamydomonas reinhardtii is modulated by cellular metabolic states
Authors: Upadhyaya Shivani , Agrawal Shreya , Gorakshakar Anmol , Rao Basuthkar Jagadeeshwar
Published: July 2020

Target of rapamycin (TOR) kinase is a sensor and a central integrator of internal and external metabolic cues. However, in algae and in higher plants, the components of TOR kinase signaling are yet to be characterized. Here, we establish an assay system to study TOR kinase activity in Chlamydomonas reinhardtii using the phosphorylation status of its putative downstream target, CrS6K. Using this assay, we probe the modulation of cellular TOR kinase activity under various physiological states such as photoautotrophy, heterotrophy, mixotrophy, and nitrogen (N) starvation. Importantly, we uncover that excess acetate in the medium leads to high cellular reactive oxygen species levels, triggering autophagy and a concomitant drop in TOR kinase activity in a dose‐dependent manner, thus leading to a N‐starvation‐like cellular phenotype, even when nitrogen is present.
Actuation Modeling of Ionic–Polymer Metal Composite Actuators Using Micromechanics Approach
Authors: Yang Liang , Zhang Dongsheng , Wang Hong , Zhang Xining
Published: July 2020

Herein, the movement of hydrated cations in ionic–polymer metal composite (IPMC) is analyzed by the micromechanics method. Based on the mechanism of IPMC, the migration of hydrated cations is in a step‐by‐step order, and the aggregation of hydrated cations on the cathode side results in the bending of IPMC toward the anode. The physical models of the maximum displacement and maximum blocking force of IPMC are established, the Pt IPMCs are prepared by chemical deposition, and the calculated values are compared with the experimental values. The results indicate that there is water electrolysis in the actuation process of IPMC, which inhibits the migration of ions on the electrode surface and has a negative effect on the property of IPMC. By comparing the calculated value of the model with the experimental value, it is found that there is good consistency. The mathematical statistical metrics, mean absolute error, mean relative error, determination coefficient, correlation coefficient, mean square error, root mean square error, and relative root mean square error, are used to assess the model capability, which puts a theoretical foundation for the prediction and simulation of IPMC and promotes the further development and practical application of IPMC.
Evaluation of Processing Conditions on the γ′ Morphology of an Oxide Dispersion Strengthened Ni‐Based Superalloy
Authors: Aghamiri S. M. S. , Linye Z. , Ukai S. , Oono N. , Shahverdi H. R. , Soltanieh M.
Published: July 2020

Herein, the evolution of the microstructure of a newly developed oxide dispersion strengthened (ODS) Ni‐based superalloy with emphasis on γ′ morphology during different processing conditions is investigated. X‐ray analysis of severely deformed mechanically alloyed (MAed) powders shows that the as‐milled nano‐sized crystallite size increases with annealing associated with the sharp drop of dislocation density. At the same time, by annealing MAed powders γ′ precipitates above 300 °C, and depending on the aging treatment regime, Vickers microhardness changes mainly due to γ′ distribution and dislocation release. The thorough evaluation of γ′ morphology in the microscale shows that in contrast to the spherical shape of γ′, after heat treatment of solutionized MAed ODS superalloy, irregular‐shaped γ′ exist in the MAed ODS superalloy due to severe plastic deformation during mechanical alloying. However, a unique nanostructured lamellar morphology forms in the γ′ precipitates with different lamellae directions. This structure is stable in all subsequent processing steps with γ′ lamellae of planes and intervals of 20–30 nm. The scanning transmission electron microscopy (STEM)–high‐angle annular dark‐field (HAADF) composition analysis clarifies that the nanostructured lamellar morphology shows no partitioning of alloying elements, and its origin may be attributed to the formation of antiphase domain boundaries.
Constructing retrospective gridded daily weather data for agro‐hydrological applications in Oklahoma
Authors: Dhakal Kundan , Kakani Vijaya Gopal , Ochsner Tyson E. , Sharma Sonisa
Published: July 2020

Regional, automated meteorological networks, such as the Oklahoma Mesonet can potentially provide high quality forcing data for generating gridded surfaces, but proven methods of interpolating weather variables between the station locations are needed. We compared two interpolation methods, ordinary kriging (OK) and empirical Bayesian kriging (EBK), with and without using long‐term climate imprints (CI), for creating spatially continuous, daily weather datasets. Daily meteorological variables (maximum and minimum temperature, solar radiation, and precipitation) from the Oklahoma Mesonet for the period 1997–2014 were interpolated using geoprocessing tools in ArcGIS. Cross‐validation was used for evaluation of interpolation methods, with 90% of sites chosen randomly for the training set and the remaining 10% left for validation. For all interpolation approaches, cross‐validation showed coefficient of determination (R2) values of .99 and .98 for daily maximum and minimum air temperatures, with mean absolute error (MAE) ranging from ±0.45–0.50 °C for maximum temperature and ±0.77–0.80 °C for minimum temperature. Likewise, for daily solar radiation,R2values of .94 and .93 showed overall good prediction accuracy with MAE values 1.00 and 1.01 MJ m–2 d–1for EBK and OK, respectively. However, for rainfall, all methods yieldedR2values ≤.67, suggesting a need for more effective interpolation method. Based on its lower computational time and lower input data requirement, OK appears preferable to the other approaches tested here to provide the daily weather data for gridded models in Oklahoma and other regions with similar monitoring networks.
Interseeding cover crops in corn: Establishment, biomass, and competitiveness in on‐farm trials
Authors: Brooker Aaron P. , Renner Karen A. , Basso Bruno
Published: July 2020

Broadcast interseeding cover crops in corn (Zea mays L.) from the V2–V7 corn growth stages provides farmers the opportunity to establish cover crops over large areas quickly compared with drill interseeders. The objectives of this research were to evaluate broadcast interseeded cover crop establishment and biomass production as well as cover crop effect on corn grain yield in farmer's fields in Michigan. In 2017 and 2018, annual ryegrass (Lolium multiflorum Lam.), crimson clover (Trifolium incarnatum L.), and oilseed radish (Raphanus sativus L.) were broadcast interseeded at the V3 and V6 corn growth stages in nine farm fields. Cover crop density was measured 30 d after interseeding; cover crop density and biomass were measured in October prior to grain corn harvest. Cover crop density varied across site‐years; annual ryegrass usually had the highest density. Fall biomass production of oilseed radish was usually equal to or greater than annual ryegrass and crimson clover biomass. Rainfall during the interseeding period improved cover crop emergence. Cover crop density and biomass were higher in sites that were tilled prior to corn planting compared with no‐till, likely due to better seed to soil contact. Grain yield did not differ in the cover crop vs. no cover crop control treatments. Successfully establishing cover crops by broadcast interseeding in corn is dependent on specific location conditions; conventional tillage and rainfall improved establishment and biomass production.
Genetic diversity of sugar beet under heat stress and deficit irrigation
Authors: Abou‐Elwafa Salah F. , Amin Abu El‐Eyuoon A. , Eujayl Imad
Published: July 2020

In the light of climate changes and global warming, as well as the rapid expansion in sugar beet (Beta vulgaris L.) cultivation in Egypt, the development of sugar beet varieties with improved tolerance to high temperature and deficit irrigation is of great importance. The objective of this study was to evaluate sugar beet genotypes under high temperatures and deficit irrigation conditions for further identification and selection of heat and drought tolerant genotypes. In the current study, a panel of 18 sugar beet breeding lines produced at the USDA–ARS–NWISRL, Kimberly, ID, and the commercial sugar beet cultivar Kawimera were evaluated for yield and quality under high temperature. Six promising lines in terms of yield and quality were further evaluated under both high temperature and deficit irrigation for two growing seasons.

All lines performed differently under deficit irrigation, indicating a high degree of genetic variability in the evaluated lines. Additionally, yield traits showed negative effect due to deficit irrigation. A significant positive correlation was observed between stress tolerance index (STI), and average root and sugar yields under stressed and non‐stressed conditions. A linear relationship between STI and average root and sugar yields indicates that STI is a reliable stress index to select high yielding genotypes under both optimum‐ and deficit‐irrigation conditions. USKPS25 and USC944‐6‐68 breeding lines are most likely adapted to deficit irrigation and high temperature and suitable to be utilized in the proposed sugar beet breeding programs in Egypt.
Improvement of smallholder farming systems in Africa
Authors: Wortmann Charles , Amede Tilahun , Bekunda Mateete , Ndung'u‐Magiroi Keziah , Masikati Patricia , Snapp Sieglinde , Stewart Zachary P. , Westgate Mark , Zida Zacarie , Kome Charles E.
Published: July 2020

This forum paper provides a synthesis and discussion of 14 categories of lessons learned from experiences for achieving farm‐level impact with smallholder farmers in Africa. These lessons were reported in a symposium hosted by the Agronomy in Africa community of the American Society of Agronomy. The lessons, listed in order of frequency of reporting, were the need to: have adequate infrastructure and services; enable spontaneous adoption; have multi‐disciplinary and institutional collaboration; build on previous adoption of good agronomic practices (GAP); have farmer participation in research; encourage and learn from smallholder adaptations; make GAP promotion demand‐driven; allow GAP choices; address challenges and trade‐offs to GAP adoption; enable GAP‐by‐GAP adoption; reconcile conflicting messages; offer adequate profit potential with acceptable risk; reduce labor needs, especially for women; and build capacity for farming system improvement along the chain from farmer to research. The lessons are discussed and conclusions are reported.
Predicting chemical reaction equilibria in molten carbonate fuel cells via molecular simulations
Authors: Young Jeffrey M. , Mondal Anirban , Barckholtz Timothy A. , Kiss Gabor , Koziol Lucas , Panagiotopoulos Athanassios Z.
Published: July 2020

It has been recently suggested that hydroxide ions can be formed in the electrolyte of molten carbonate fuel cells when water vapor is present. The hydroxide can replace carbonate in transporting electrons across the electrolyte, thereby reducing the CO2 separation efficiency of the fuel cell although still producing electricity. In this work, we obtain the equilibrium concentration of hydroxide in five molten alkali carbonate salts from molecular simulations. The results reveal that there can be a substantial amount of hydroxide in the electrolyte at low partial pressures of CO2. In addition, we find that the equilibrium concentration of molecular water dissolved in the electrolyte is over two orders of magnitude higher than that of CO2. Increasing the size and polarizability (or in other words reducing the “hardness”) of the cations present in the electrolyte can reduce the hydroxide fraction, but at the cost of lowering ionic conductivity.
Heart rate variability in older workers during work under the Threshold Limit Values for heat exposure
Authors: Kaltsatou Antonia , Flouris Andreas D. , Herry Christophe L. , Notley Sean R. , Macartney Michael J. , Seely Andrew J. E. , Kenny Glen P.
Published: July 2020

Background

The Threshold Limit Values (TLV) of the American Conference of Governmental and Industrial Hygienists indicate the levels of heat stress that all workers may be repeatedly exposed to without adverse health effects. In this study, we evaluated heart rate variability (HRV) during moderate‐to‐heavy work performed continuously or according to different TLV work‐rest (WR) allocations in healthy physically active older workers.

Methods

Nine healthy older (58 ± 5 years) males performed three different 120‐minute conditions in accordance with TLV guidelines for moderate‐to‐heavy intensity work (360 W fixed rate of heat production) in different wet‐bulb globe temperatures (WBGT): continuous cycling at 28°C WBGT (CON), as well as intermitted work performed at WR of 3:1 in 29°C WBGT (WR3:1), and at WR of 1:1 at 30°C (WR1:1). Rectal temperature and HRV (3‐lead electrocardiogram [ECG]) were assessed throughout.

Results

Coefficient of Variation, Poincaré SD2, and Shannon Entropy were decreased during the CON compared with the WR3:1 when core temperature exceeded 38°C and after 1 hour of continuous work (P < .05). Also, 4 of the 12 HRV indices studied were reduced at CON compared with WR1:1 after 2 hours of accumulated work time (P < .05). Participants worked longer before core temperature reached 38°C during the WR1:1 and the WR3:1, compared with CON (P < .05).

Conclusions

Incorporating breaks during moderate‐to‐heavy work in the heat for older adults can reduce autonomic stress and prolong the work performed at safe core temperature levels. The TLV WR1:1 provides increased cardiac protection for older workers, as compared with the CON and the WR3:1.
Prescription opioid use and associated factors among US construction workers
Authors: Dong Xiuwen S. , Brooks Raina D. , Cain Chris T.
Published: July 2020

Background

Construction workers are among the segments of the US population that were hit hardest by the opioid prescription and overdose deaths in the past decades. Factors that underlie opioid use in construction workers have been compartmentalized and isolated in existing studies of opioid use and opioid overdose, but they ignore the overall context of their use. This study examines prescription opioid use and its association with a variety of occupational and nonoccupational factors in construction workers in the United States.

Methods

Data from the 2011‐2017 Medical Expenditure Panel Survey (n = 7994) were analyzed. The prevalence of prescribed opioid use and the association with occupational and nonoccupational characteristics among construction workers were examined in four multiple logistic regression models.

Results

The odds of prescription opioid use for workers with occupational injuries was more than triple that of their noninjured counterparts when demographics and occupational factors were controlled (odds ratio = 3.38, 95% confidence interval: 2.38‐4.81). Odds of prescription opioid use were higher in older construction workers, workers who were white, non‐Hispanic, working part‐time, and in poorer health, while Hispanic workers and those without health insurance were much less likely to report prescription opioid use.

Conclusions

Prescription opioid use among construction workers encompasses both occupational and nonoccupational factors. As an insight into opioid use among construction workers becomes clearer, effectively responding to the opioid crisis remains a challenge.
Ocular measurements in fetal alcohol spectrum disorders
Authors: Gomez Diego A. , May Philip A. , Tabachnick Barbara G. , Hasken Julie M. , Lyden Elizabeth R. , Kalberg Wendy O. , Hoyme H. Eugene , Manning Melanie A. , Adam Margaret P. , Robinson Luther K. , Jones Kenneth Lyons , Buckley David , Abdul‐Rahman Omar A.
Published: July 2020

Fetal alcohol spectrum disorders (FASD) describe a range of physical, behavioral, and neurologic deficits in individuals exposed to alcohol prenatally. Reduced palpebral fissure length is one of the cardinal facial features of FASD. However, other ocular measurements have not been studied extensively in FASD. Using the Fetal Alcohol Syndrome Epidemiologic Research (FASER) database, we investigated how inner canthal distance (ICD), interpupillary distance (IPD), and outer canthal distance (OCD) centiles differed between FASD and non‐FASD individuals. We compared ocular measurement centiles in children with FASD to non‐FASD individuals and observed reductions in all three centiles for ICD, IPD, and OCD. However, when our non‐FASD children who had various forms of growth deficiency (microcephaly, short‐stature, or underweight) were compared to controls, we did not observe a similar reduction in ocular measurements. This suggests that reductions in ocular measurements are a direct effect of alcohol on ocular development independent of its effect on growth parameters, which is consistent with animal models showing a negative effect of alcohol on developing neural crest cells. Interpupillary distance centile appeared to be the most significantly reduced ocular measure we evaluated, suggesting it may be a useful measure to be considered in the diagnosis of FASD.
Freestanding Millimeter‐Scale Porphyrin‐Based Monoatomic Layers with 0.28 nm Thickness for CO2 Electrocatalysis
Authors: Yang Deren , Zuo Shouwei , Yang Haozhou , Zhou Yue , Wang Xun
Published: July 2020

Developing two‐dimensional (2D) and single atomic layered materials is a fascinating challenge. Here we successfully synthesize porphyrin‐based monoatomic layer (PML), a freestanding 2D porphyrin‐based material of monomer‐unit thickness (2.8 Å). The solvothermal method provides a bottom‐up approach for tailoring the monoatomic layer from the nanoscale to the milliscale. PMLs containing accurately tailorable M‐N4 units (M=Cu and Au) were synthesized, which present metal center‐dependent performance for CO2 electrocatalysis. PML with Cu‐N4 centers performs high faradaic efficiencies of HCOO− and CH4 (80.86 % and 11.51 % at −0.7 V, respectively) while PML with Au‐N4 centers generates HCOO− and CO as major products (40.90 % and 34.40 % at −0.8 V, respectively). Irreversible restructuring behavior of Cu sites is also observed. Based on the graphene‐like properties and metal center‐selectivity relationships, we believe that PML will play a distinct role in various applications.
Stereoinduktion in der Metallaphotoredoxkatalyse
Authors: Lipp Alexander , Badir Shorouk O. , Molander Gary A.
Published: July 2020

Die Metallaphotoredoxkatalyse hat sich zu einer leistungsfähigen Plattform entwickelt, welche den Aufbau C(sp3)‐hybridisierter Zentren unter bemerkenswert milden Reaktionsbedingungen ermöglicht. Die Erschließung vielfältiger und einfach zugänglicher Radikalvorläufer hat die Anwendungsbreite übergangsmetallkatalysierter Kreuzkupplungen erheblich erweitert, insbesondere in Bezug auf die Knüpfung von C(sp2)‐C(sp3)‐Bindungen. In den letzten Jahren wurden erhebliche Anstrengungen unternommen, um den Ursprung der Stereoinduktion in der zugrunde liegenden dualen Katalyse zu verstehen. Besonders Ni‐ und Cu‐katalysierte Transformationen haben in diesem Zusammenhang eine bedeutende Rolle gespielt. Dieser Kurzaufsatz beschreibt aktuelle Entwicklungen im Bereich der photochemischen Ni‐ sowie Cu‐katalysierten enantioselektiven Bindungsbildungen. Darüber hinaus werden ausgewählte stereochemische Kontrollelemente zur Realisierung diastereoselektiver Transformationen diskutiert.
Stereoinduction in Metallaphotoredox Catalysis
Authors: Lipp Alexander , Badir Shorouk O. , Molander Gary A.
Published: July 2020

Metallaphotoredox catalysis has evolved into an enabling platform to construct C(sp3)‐hybridized centers under remarkably mild reaction conditions. The cultivation of abundant radical precursor feedstocks has significantly increased the scope of transition‐metal‐catalyzed cross‐couplings, especially with respect to C(sp2)–C(sp3) linkages. In recent years, considerable effort has been devoted to understanding the origin of stereoinduction in dual catalytic processes. In this context, Ni‐ and Cu‐catalyzed transformations have played a predominant role exploiting this mode of catalysis. Herein, we provide a critical overview on recent progress in enantioselective bond formations enabled by Ni‐ and Cu‐catalyzed manifolds. Furthermore, selected stereochemical control elements within the realm of diastereoselective transformations are discussed.
Characterization of new Co(II) complexes and photographic monitoring for their toxic impact on breast cancer cells according to simulation study
Authors: Shah Reem , Habeebullah Turki M. , Saad Fawaz , Althagafi Ismail , Al‐dawood Aisha Y. , Al‐Solimy Amerah M. , Al‐Ahmed Zehba A. , Al‐Zahrani Fatimah , Farghaly Thoraya A. , El‐Metwaly Nashwa
Published: July 2020

Five new nitrogen‐rich ligands (thioanhydrides) were synthesized and fully characterized. Then, their corresponding Co(II) complexes were prepared and also elucidated by analytical and spectral conformational techniques. First of all, the mono‐negative tri‐dentate mode was proposed with all derivatives towards mono‐nuclear central atom. According to ligand field transitions and magnetic susceptibility values, the square‐planar as well as octahedral geometries were the forms suggested. The presence of water molecules was investigated thermally. For conformational implementation under optimal conditions, energy minimization was carried out and fundamental data were obtained and studied.In silicoinvestigation was carried out using the MOE docking approach to predict the inhibition activity for the new compounds. The Co(II)–3ecomplex played an excellent inhibitory role. After that and based on preliminary results,in vitroantitumor screening against MCF‐7 cell line was conducted for all Co(II) complexes. The results were consistent with that for standard drug (doxorubicin), and the inhibition feature for the complexes was ranked. Through photographic monitoring, outstanding inhibition activity towards breast cancer spreading was recorded for the Co(II)–3ecomplex, which coincides well with MOE docking data.
Nonparametric screening and feature selection for ultrahigh‐dimensional Case II interval‐censored failure time data
Authors: Hu Qiang , Zhu Liang , Liu Yanyan , Sun Jianguo , Srivastava Deo Kumar , Robison Leslie L.
Published: July 2020

For the analysis of ultrahigh‐dimensional data, the first step is often to perform screening and feature selection to effectively reduce the dimensionality while retaining all the active or relevant variables with high probability. For this, many methods have been developed under various frameworks but most of them only apply to complete data. In this paper, we consider an incomplete data situation, case II interval‐censored failure time data, for which there seems to be no screening procedure. Basing on the idea of cumulative residual, a model‐free or nonparametric method is developed and shown to have the sure independent screening property. In particular, the approach is shown to tend to rank the active variables above the inactive ones in terms of their association with the failure time of interest. A simulation study is conducted to demonstrate the usefulness of the proposed method and, in particular, indicates that it works well with general survival models and is capable of capturing the nonlinear covariates with interactions. Also the approach is applied to a childhood cancer survivor study that motivated this investigation.
Study and Evaluation of the Potential of Lipid Nanocarriers for Transdermal Delivery of siRNA
Authors: Lee Kyungwoo , Min Daejin , Choi Yonghyun , Kim Jiwon , Yoon Semi , Jang Jaehee , Park Soomin , Tanaka Masayoshi , Cho Yong Woo , Koo Hyung‐Jun , Jeon Hojeong , Choi Jonghoon
Published: July 2020

The topical delivery of siRNA‐based therapies has opened new avenues for the treatment of skin disorders. The use of siRNA as a therapeutic, however, is limited due to its rapid degradation and poor cellular uptake. Furthermore, the top layer of skin, the stratum corneum, is a major barrier to the delivery of topical agents. There is an unmet need for efficient topical formulations for delivering siRNA to the site of action. In this study, 1,2‐dioleoyl‐3‐trimethylammonium‐propane (DOTAP) or lipofectamine is used to prepare a nanocarrier for delivering siRNA against glyceraldehyde 3‐phosphate dehydrogenase (GAPDH); GAPDH expression is then evaluated at the cellular level. In addition, a dermal transport assay is designed and implemented to evaluate the penetration and delivery efficacy of siRNA in pig skin using lipid nanocarriers. The delivery of siRNA with the use of a lipid nanocarrier is significantly better than the delivery of siRNA without it. Thus, the findings identify lipid nanocarriers as excellent candidates for the transdermal delivery of siRNA for gene silencing in the skin and thus for applications in related preclinical models.
Biotin Functionalized Self‐Assembled Peptide Nanofiber as an Adjuvant for Immunomodulatory Response
Authors: Demircan Muhammed Burak , Tohumeken Sehmus , Gunduz Nuray , Khalily Mohammad Aref , Tekinay Turgay , Guler Mustafa O. , Tekinay Ayse B.
Published: July 2020

Biotinylated peptide amphiphile (Biotin‐PA) nanofibers, are designed as a noncovalent binding location for antigens, which are adjuvants to enhance, accelerate, and prolong the immune response triggered by antigens. Presenting antigens on synthetic Biotin‐PA nanofibers generated a higher immune response than the free antigens delivered with a cytosine‐phosphate‐guanine oligodeoxynucleotides (CpG ODN) (TLR9 agonist) adjuvant. Antigen attached Biotin‐PA nanofibers trigger splenocytes to produce high levels of cytokines (IFN‐γ, IL‐12, TNF‐α, and IL‐6) and to exhibit a superior cross‐presentation of the antigen. Both Biotin‐PA nanofibers and CpG ODN induce a Th‐1‐biased IgG subclass response; however, delivering the antigen with Biotin‐PA nanofibers induce significantly greater production of total IgG and subclasses of IgG compared to delivering the antigen with CpG ODN. Contrary to CpG ODN, Biotin‐PA nanofibers also enhance antigen‐specific splenocyte proliferation and increase the proportion of the antigen‐specific CD8(+) T cells. Given their biodegradability and biocompatibility, Biotin‐PA nanofibers have a significant potential in immunoengineering applications as a biomaterial for the delivery of a diverse set of antigens derived from intracellular pathogens, emerging viral diseases such as COVID‐19, or cancer cells to induce humoral and cellular immune responses against the antigens.
A robust soft sensor to monitor 1,3‐propanediol fermentation process by Clostridium butyricum based on artificial neural network
Authors: Zhang Ai‐Hui , Zhu Kai‐Yi , Zhuang Xiao‐Yan , Liao Lang‐Xing , Huang Shi‐Yang , Yao Chuan‐Yi , Fang Bai‐Shan
Published: July 2020

With the aggravation of environmental pollution and energy crisis, the sustainable microbial fermentation process of converting glycerol to 1,3‐propanediol (1,3‐PDO) has become an attractive alternative. However, the difficulty in the online measurement of glycerol and 1,3‐PDO creates a barrier to the fermentation process and then leads to the residual glycerol and therefore, its wastage. Thus, in the present study, the four‐input artificial neural network (ANN) model was developed successfully to predict the concentration of glycerol, 1,3‐PDO, and biomass with high accuracy. Moreover, an ANN model combined with a kinetic model was also successfully developed to simulate the fed‐batch fermentation process accurately. Hence, a soft sensor from the ANN model based on NaOH‐related parameters has been successfully developed which cannot only be applied in software to solve the difficulty of glycerol and 1,3‐PDO online measurement during the industrialization process, but also offer insight and reference for similar fermentation processes.
High‐level β‐carotene production from xylose by engineered Saccharomyces cerevisiae without overexpression of a truncated HMG1 (tHMG1)
Authors: Sun Liang , Atkinson Christine A. , Lee Ye‐Gi , Jin Yong‐Su
Published: July 2020

β‐Carotene is a natural pigment and health‐promoting metabolite, and has been widely used in the nutraceutical, feed, and cosmetic industries. Here, we engineered a GRAS yeast Saccharomyces cerevisiae to produce β‐carotene from xylose, the second most abundant and inedible sugar component of lignocellulose biomass. Specifically, a β‐carotene biosynthetic pathway containing crtYB, crtI, and crtE from Xanthophyllomyces dendrorhous was introduced into a xylose‐fermenting S. cerevisiae. The resulting strain produced β‐carotene from xylose at a titer threefold higher than from glucose. Interestingly, overexpression of tHMG1, which has been reported as a critical genetic perturbation to enhance metabolic fluxes in the mevalonate pathway and β‐carotene production in yeast when glucose is used, did not further improve the production of β‐carotene from xylose. Through fermentation profiling, metabolites analysis, and transcriptional studies, we found the advantages of using xylose as a carbon source, instead of glucose, for β‐carotene production to be a more respiratory feature of xylose consumption, a larger cytosolic acetyl‐CoA pool, and an upregulated expression level of rate‐limiting genes in the β‐carotene‐producing pathway, including ACS1 and HMG1. As a result, 772.8 mg/L of β‐carotene was obtained in a fed‐batch bioreactor culture with xylose feeding. Considering the inevitable large scale production of xylose when cellulosic biomass‐based bioeconomy is implemented, our results suggest xylose utilization is a promising strategy for overproduction of carotenoids and other isoprenoids in engineered S. cerevisiae.
LC–QTOF–MS‐based metabolite profiling and evaluation of α‐glucosidase inhibitory kinetics of Coccinia grandis fruit
Authors: Chanda Joydeb , Mukherjee Pulok K. , Kar Amit , Maitra Prasanta Kr. , Singha Seha , Halder Pallab Kanti , Gajbhiye Rahul , Vishnuvardh Ravichandiran
Published: July 2020

Coccinia grandis is an important food crop of the Cucurbitaceae family, widely used for culinary purposes in India. It is reported to possess hypoglycemic, hypolipidemic and antioxidant activities. The current study was aimed to explore the inhibition kinetics as well as major constituents of the active fraction of C. grandis against α‐glucosidase. The kinetic study was performed through spectrophotometric assay, with p‐nitrophenyl‐α‐d‐glucopyranoside as a substrate with varying concentrations. An in vitro antioxidant study was performed by DPPH assay. In addition, UPLC–QTOF–MS analysis was carried out for metabolite profiling of the bioactive fraction of C. grandis. The results showed that the difference between the α‐glucosidase inhibitory activity of the ethyl acetate fraction of C. grandis (EFCG) (IC50 2.43 ± 0.27 mg/ml), and standard inhibitor, acarbose (2.08 ± 0.19 mg/ml), was not statistically significant at a P‐value of 0.05. The enzyme kinetics confirmed the inhibition mode in a mixed manner. The EFCG also showed the highest antioxidant activity (101.74 ± 1.95 μg/ml) among all of the fractions. A significant correlation between antioxidant and α‐glucosidase inhibitory activity of EFCG was observed. The LC–QTOF–MS study of the EFCG putatively identified 35 metabolites, which may be responsible for its antioxidant and α‐glucosidase inhibitory properties. Thus, C. grandis fruits can serve as a functional food to address diabetes‐related disorders associated with α‐glucosidase.
LCIG in treatment of non‐motor symptoms in advanced Parkinson’s disease: Review of literature
Authors: Kamel Walaa A. , Al‐Hashel Jasem Y.
Published: July 2020

Background

For managing nonmotor symptoms (NMS) in advanced Parkinson's disease (PD), levodopa–carbidopa intestinal gel (LCIG) infusion is of interest as it shows lesser plasma fluctuations of both drugs as compared to oral levodopa–carbidopa (LC).

Objectives

To highlight LCIG effect in NMS among advanced PD patients and appraise the currently available literature.

Methods

PubMed screening (till 2020) of 184 articles was done, of which 51 were selected. Among them, 23 original articles relevant to the research question were included, of which 6 were then excluded after careful reading of full articles. The 17 relevant studies of the review provide Grade C level of evidence of efficacy.

Results

LCIG is beneficial in improving or relieving various NMS especially (mood, cognition/memory, sleep, gastrointestinal symptoms, urinary symptoms, and quality of life questionnaires) in patients with advanced PD. Amelioration of motor functions or direct relations may lead to improvement in NMS PD patients using LCIG. Adverse events noted in patients treated with LCIG include pneumoperitoneum, abdominal pain, stoma infection, reversible peripheral neuropathy, local tube problems, impulse control disorder, and weight loss. Serious adverse events were mostly found to be unrelated to LCIG.

Conclusions

LCIG provides an uninterrupted intestinal levodopa infusion by percutaneous endoscopic gastrojejunostomy (PEG‐J). It effectively decreases plasma fluctuations of levodopa and reduces motor instability and NMS burden in advanced PD. However, adequate dose modification and individualization of therapy are essential for optimal effect.
A prospective multicenter phase II study on the efficacy and safety of dasatinib in the treatment of metastatic gastrointestinal stromal tumors failed by imatinib and sunitinib and analysis of NGS in peripheral blood
Authors: Zhou Ye , Zhang Xinhua , Wu Xiaojun , Zhou Yongjian , Zhang Bo , Liu Xiufeng , Wu Xin , Li Yan , Shen Lin , Li Jian
Published: July 2020

Aim

Dasatinib is a small molecule tyrosine kinase inhibitor with multiple targets including kit, PDGFR, and SRC. This prospective study evaluated the efficacy and safety of dasatinib as third‐line treatment for gastrointestinal stromal tumors (GIST).

Methods

The study enrolled adult patients (≥18 years of age) with histologically confirmed unresectable and/or metastatic GIST whose disease progressed despite imatinib and sunitinib therapy. Dasatinib (50 mg twice daily) was given orally for 1 week and escalated to 70 mg twice daily orally. The primary endpoint was to the 3‐month progression‐free survival (PFS) rate. Blood samples were acquired before dasatinib therapy for examination of gene mutations by next‐generation sequencing (NGS).

Results

From May 2016 to June 2018, 58 patients from 9 Chinese medical centers were enrolled in this study. The 3‐month PFS rate was 53.4% and the median overall survival (OS) was 14.0 months. Neither primary nor secondary gene mutations predicted the efficacy of dasatinib. Wild‐type GIST patients had longer PFS (5.5 months). The most common adverse events were anemia, proteinuria, fatigue, neutropenia, and diarrhea. The concordance of KIT/PDGFRA mutation was 61.9% between tissue and peripheral blood samples and additional KIT mutations were detected in the peripheral blood samples in 28.6% of the patients. Some SNV and CNV such as ATRX, TP53, TEKT4, STK11, SDHC, and CDKN2C related to tumor signaling pathways were detected. Patients with TP53 mutations and SDHC and TMEM127 gene copy number loss had longer OS.

Conclusion

Dasatinib has modest antitumor activity with tolerable toxicities in patients with metastatic GISTs who have failed imatinib and sunitinib therapy.
Mystery of the lost gallstone‐Part 1
Authors: Paraskeva Aikaterini , Triantafyllidis Alexandros , Boulas Konstantinos A. , Nathanailidou Maria , Chatzipourganis Konstantinos , Hatzigeorgiadis Anestis
Published: July 2020

If gallbladder perforation occurs during laparoscopic cholecystectomy, every spilled gallstone should be retrieved to minimize possible late gallstone‐related septic complications.
Spatially Nanoconfined Architectures: A Promising Design for Selective Catalytic Reduction of NOx
Authors: Li Minhan , Guo Yangyang , Yang Jianping
Published: July 2020

Nitrogen oxides, including NO and NO2, are notorious air pollutants. The selective catalytic reduction of NOx with NH3 (NH3−SCR) is the most widely studied and used technology for NOx removal. The spatially confined architectures in porous materials are promising designs for NH3−SCR catalysts. Porous metal oxides, metal‐based zeolite, and the metal organic frameworks catalysts, featuring active sites disperse in the pores, cavities, and frameworks, are the most widely studied NH3−SCR catalysts. In this review, we review the application of these three typical catalysts for NH3−SCR, emphasizing the spatial confined structure provided by the porous materials.
Spatiotemporal Studies of the One‐Dimensional Coordination Polymer [Fe(ebtz)2(C2H5CN)2](BF4)2: Tug of War between the Nitrile Reorientation Versus Crystal Lattice as a Tool for Tuning the Spin Crossover Properties**
Authors: Książek Maria , Weselski Marek , Kaźmierczak Marcin , Tołoczko Aleksandra , Siczek Miłosz , Durlak Piotr , Wolny Juliusz A. , Schünemann Volker , Kusz Joachim , Bronisz Robert
Published: July 2020

Reaction of 1,2‐di(tetrazol‐2‐yl)ethane (ebtz) with Fe(BF4)2⋅6 H2O in different nitriles yields one‐dimensional coordination polymers [Fe(ebtz)2(RCN)2](BF4)2⋅nRCN (n=2 for R=CH3 (1) and n=0 for R=C2H5 (2) C3H7 (3), C3H5 (4), CH2Cl (5)) exhibiting spin crossover (SCO). SCO in 1 and 3–5 is complete and occurs above 160 K. In 2, it is shifted to lower temperatures and is accompanied by wide hysteresis (T1/2↓=78 K, T1/2↑=123 K) and proceeds extremely slowly. Isothermal (80 K) time‐resolved single‐crystal X‐ray diffraction studies revealed a complex nature for the HS→LS transition in 2. An initial, slow stage is associated with shrinkage of polymeric chains and with reduction of volume at 77 % (in relation to the difference between cell volumes VHS−VLS) whereas only 16 % of iron(II) ions change spin state. In the second stage, an abrupt SCO occurs, associated with breathing of the crystal lattice along the direction of the Fe–nitrile bonds, while the nitriles reorient. HS→LS switching triggered by light (808 nm) reveals the coupling of spin state and nitrile orientation. The importance of this coupling was confirmed by studies of [Fe(ebtz)2(C2H5CN/C3H7CN)2](BF4)2 mixed crystals (2 a, 2 b), showing a shift of T1/2 to higher values and narrowing of the hysteresis loop concomitant with an increase of the fraction of butyronitrile. This increase reduces the capability of nitrile molecules to reorient. Density functional theory (DFT) studies of models of 1–5 suggest a particular possibility of 2 to adopt a low (140–145°) value of its Fe‐N‐C(propionitrile) angle.
Enhanced Performance of Zirconium‐Doped Ceria Catalysts for the Methoxycarbonylation of Anilines
Authors: Núñez‐Rico José Luis , Rellán‐Piñeiro Marcos , Puértolas Begoña , Vidal‐Ferran Anton , López Núria , Pérez‐Ramírez Javier , Wershofen Stefan
Published: July 2020

The methoxycarbonylation of anilines stands as an attractive method for the phosgene‐free production of carbamates. Despite the high yields obtained for ceria catalysts, the reduction of the amount of side products and the prevention of catalyst deactivation still represent major hurdles in this chemistry. One advantage of ceria is the possibility of tuning its reactivity by doping its lattice with other metals. In the present work, a series of doped ceria‐based materials, prepared by substitution with metals, are evaluated in the methoxycarbonylation of 2,4‐diaminotoluene with dimethyl carbonate. Among all catalysts, containing Eu, Hf, La, Pr, Sm, Tb, Y or Zr, ceria promoted with 2 mol % Zr exhibited 96 % selectivity towards the desired carbamates, improving the pure CeO2 catalyst. Density functional theory demonstrates that two descriptors are needed: 1) a geometric factor that governs the reduction of energy barriers for carbamate formation through ureas; 2) catalyst basicity as N−H bonds need to be activated. Assessment in subsequent reaction cycles revealed that the CeO2–ZrO2 catalyst is more stable than bulk CeO2, along with the reduction of fouling processes.
Iron‐Catalyzed Primary C—H Amination of Sulfamate Esters and Its Application in Synthesis of Azetidines†
Authors: Zhang Yan , Zhong Dayou , Usman Muhammad , Xue Peng , Liu Wen‐Bo
Published: July 2020

Summary of main observation and conclusion

The direct amination of unactivated primary C—H bonds is extremely challenging due to their inert nature. Herein, we report an intramolecular primary C—H amination of sulfamate esters using an iron catalyst derived from iron(II) triflate and bipyridine. An array of oxathiazinanes were synthesized in moderate to good yields, which were further converted into biologically important azetidines by a one‐pot procedure. This research demonstrates the potential of applying simple nitrogen ligands in iron‐catalyzed C—H functionalization and offers an accessible alternative to state‐of‐the‐art iron‐nitrene chemistry.
Testing for BAP1 loss and CDKN2A/p16 homozygous deletion improves the accurate diagnosis of mesothelial proliferations in effusion cytology
Authors: Chevrier Martin , Monaco Sara E. , Jerome Jacob A. , Galateau‐Salle Francoise , Churg Andrew , Dacic Sanja
Published: July 2020

Background

A number of ancillary tests have been developed that aid in the diagnosis of mesothelioma in cytology specimens. The aim of this retrospective study was to determine whether testing for BAP1 and CDKN2A/p16 status in effusion specimens preceding the tissue diagnosis of mesothelioma would improve diagnostic accuracy and allow an earlier diagnosis of malignancy.

Methods

The study cohort included 99 matched cytology fluid specimens from 74 patients with a surgical specimen diagnosis of malignant mesothelioma (67 epithelioid, 7 biphasic, 55 pleural, and 19 peritoneal). BAP1 immunohistochemistry and p16 fluorescence in situ hybridization (FISH) were performed retrospectively.

Results

BAP1 or p16 FISH testing revealed a loss in 7 of 18 (39%) samples originally categorized as benign/reactive, 20 of 33 (61%) interpretable samples categorized as atypical, and 10 of 14 (71%) cases suspicious for mesothelioma. In some cases, the diagnosis of mesothelioma could have been made up to 9 months before biopsy. Similarly, loss of BAP1 or p16 was found in 28 of 30 (93%) samples categorized as malignant, with some cases diagnosable up to 6 months before biopsy. Overall, loss of BAP1 and/or CDKN2A/p16 homozygous deletion would change the diagnostic interpretation in 37 of 60 (62%) (P = .07) effusion specimens, particularly in pleural effusions (32 of 48 samples) (P = .002). The sensitivity of morphologic interpretation alone was 30.3%; however, adding testing for BAP1 and p16 resulted in an increase in sensitivity to 68.7%. (P < .0001).

Conclusion

These findings suggest that routine use of BAP1 immunochemistry and p16 FISH as adjunctive tests improves the diagnostic accuracy of cytology specimens and potentially allows an earlier diagnosis of malignant mesothelioma.
Projections from the dorsomedial division of the bed nucleus of the stria terminalis to hypothalamic nuclei in the mouse
Authors: Barbier Marie , González J. Antonio , Houdayer Christophe , Burdakov Denis , Risold Pierre‐Yves , Croizier Sophie
Published: July 2020

As stressful environment is a potent modulator of feeding, we seek in the present work to decipher the neuroanatomical basis for an interplay between stress and feeding behaviors. For this, we combined anterograde and retrograde tracing with immunohistochemical approaches to investigate the patterns of projections between the dorsomedial division of the bed nucleus of the stria terminalis (BNST), well connected to the amygdala, and hypothalamic structures such as the paraventricular (PVH) and dorsomedial (DMH), the arcuate (ARH) nuclei and the lateral hypothalamic areas (LHA) known to control feeding and motivated behaviors. We particularly focused our study on afferences to proopiomelanocortin (POMC), agouti‐related peptide (AgRP), melanin‐concentrating‐hormone (MCH) and orexin (ORX) neurons characteristics of the ARH and the LHA, respectively. We found light to intense innervation of all these hypothalamic nuclei. We particularly showed an innervation of POMC, AgRP, MCH and ORX neurons by the dorsomedial and dorsolateral divisions of the BNST. Therefore, these results lay the foundation for a better understanding of the neuroanatomical basis of the stress‐related feeding behaviors.
The Role of Ceria in a Hybrid Catalyst toward Alkaline Water Oxidation
Authors: Yu Jun , Wang Zheng , Wang Jian , Zhong Wenhua , Ju Min , Cai Rongming , Qiu Chen , Long Xia , Yang Shihe
Published: July 2020

Ceria‐based catalysts for the oxygen evolution reaction (OER) have received keen interest in recent years owing to their potential excellent cost performance. However, despite a flurry of research activities, the mechanism on how ceria activates those hybrid catalysts is still puzzling. Herein, by controllably modifying the oxidation state of Ce in ceria, it was revealed that creating Ce3+ species, which are redox‐coupled to Ce4+ under OER conditions, could enhance the conductivity and optimize the OH* binding, leading to greatly improved OER activity of the catalysts. More importantly, the ceria‐based hybrid catalysts also exhibited excellent long‐term stability even when operating at a high current density of 50 mA cm−2 in the strong alkaline electrolyte of 6 m KOH for more than 50 h. This work unveils the underlying role of ceria in improving the activity/stability of ceria‐based catalysts and opens the way to design and fabricate ceria‐based electrocatalysts for water splitting.