bluuebunny/crossref_metadata_2025 huggingface dataset:
Conservation Tillage and Nutrient Strategies Enhances Crop-Water Productivity and Economic Profitability of Wheat (Triticum Aestivum L)
Authors: Singh Pradeep Kumar , Naresh R. K. , Vivek . , Kumar Yogesh , Chandra M. Sharath , Pathak Shakti Om , Gawdiya Sandeep , Alam Mohd Shah , Tiwari Himanshu
Published: October 2021

Decline in soil fertility is one of the major constraints to sustainable crop production and profitability. To meet the increasing demand for the growing population the issue of low soil fertility needs to be addressed moreover, excessive pumping of groundwater over the years to meet the high irrigation water requirement of rice-wheat system has resulted in over exploitation of groundwater in the Indo-Gangetic plains (IGP) of India. Replacement of traditional wheat cultivation practices under conservation agriculture (CA) based management (tillage, and crop establishment management) practices are required to promote sustainable agriculture. Furthermore, inefficient nutrient management practices are responsible for low crop yields and nutrient use efficiencies in wheat under rice-wheat cropping system (RWCS). A field experiment was conducted at Crop Research Centre of Sardar Vallabhbhai Patel University of Agriculture & Technology, Meerut (U.P.), India to evaluate the effects of tillage and crop establishment (TCE) methods, and nutrient management practices on crop yields, water productivity and profitability of wheat under RWCS. The main plot treatments included four combinations of TCE [Furrow irrigated raised beds (FIRB), Roto tillage (RT), Reduced tillage (RTW) and conventional tillage (CT), with six nutrient management practices [N1 Control, N2 100% Recommend Dose of Fertilizer, N3 100% RDF + NPK consortia + Bio-stimulant, N4 75% RDF + NPK consortia + Bio-stimulant, N5 100% RDF + NPK consortia + Bio-stimulant + NPK (18:18:18) spray after II irrigation, and N6 and 75% RDF + NPK consortia + Bio-stimulant + NPK (18:18:18) spray after II irrigation]. Crop water productivity and net returns under FIRB were significantly increased by 11.7% and 13.8% compared to CT respectively, during year of experimentation. Study showed that conservation agriculture based sustainable practices (FIRB) and nutrient strategies 100% RDF + NPK consortia + Bio-stimulant + NPK (18:18:18) spray after II irrigation approach provided opportunities for enhancing crop and water productivity, and profitability of wheat crop in North-West IGP of India. Treatments with N and conservation agriculture were the most profitable. A combined use of conservation agriculture and organic and chemical fertilizers is the best bet for increasing, wheat crop yield and associated return on investment.
Investigation of the Anti-TB Potential of Selected Phytochemicals of Nigella Sativa using Molecular Docking Approach
Authors: Mir Shabir Ahmad
Published: October 2021

Background: Tuberculosis (TB) is one of the foremost causes of human mortality across the world. In general, it is a curable disease and several drugs are available in market for its treatment, however, because of the drug resistance to the currently available anti-TB drugs, the development and/or discovery of new drugs with better efficacy against TB cannot be overlooked. In the present study, we performed virtual screening of the major phytochemicals of the plant Nigella sativa for investigating their potential to inhibit some novel drug targets of Mycobacterium tuberculosis, which included- pantothenate kinase, type 1 (MtPanK), β-ketoacyl ACP synthase I (MtKasA), and decaprenylphosphoryl-β-D-ribose 2′-epimerase 1 (MtDprE1).

Methods: The screening of the phytochemicals was investigated through a molecular docking approach using Auto dock vina and the molecular interactions in the protein-ligand complexes were visualized and analysed through PyMol and BioVia Discovery Studio Visualizer.

Results: Our in silico observations reveal that, out of the nine selected phytochemicals screened, five compounds, namely α-hederin, dithymoquinone, nigellidine, thymoquinone and thymol binded to one or more of the selected target enzymes with significant docking scores. α-hederin binded to MtDprE1 and MtKasA with a docking score of −8.5kcal/mol and −7.9kcal/mol, respectively, dithymoquinone binded to MtKasA, MtDprE1 and MtPanK with a docking score of −6.5kcal/mol, −8.2kcal/mol and −9.2kcal/mol, respectively and nigellidine binded to MtDprE1 and MtPanK with a docking score of −8.1kcal/mol and −8.2kcal/mol, respectively. Further, thymol as well as thymoquinone were observed to bind MtKasA with a docking score of −6.6kcal/mol.

Conclusions: The results of our study indicate that the five phytochemicals of N. sativa, including α-hederin, dithymoquinone, nigellidine, thymoquinone and thymol, are worth studying further for their anti-TB activity, however, additional biological studies are warranted to validate these findings.
Frequency of Complications in Neonates with Low Birth Weight
Authors: Shahani Kamran Ali , Khidri Feriha Fatima , Riaz Hina , Siddiqui Komal , Rani Keenjhar , Ali Faiza Kamran
Published: October 2021

Objective: To identify and determine the frequency of complications in neonates with low birth weight.

Methodology: This cross sectional study was conducted at Khairpur Medical College and Lady Willingdon Hospital, Khairpur Mirs from January 2018 to July 2021. Two hundred (n=200) neonates with low birth weight (<2500 grams) were recruited and frequency of different complications were observed.

Results: The mean age of the neonates was 10.50 ± 4.34 days. Of the 200 neonates with low birth weight, 132 neonates (66%) presented with various complications; however 68 neonates (34%) were normal and without complications. Of the 200 neonates with low birth weight, the following complications were observed, hypoglycaemia (14.5%), jaundice (12.5%), respiratory distress syndrome (8%), feeding problems (8%), congenital cardiac defects (5%), hypothermia (4%), other complications such as sepsis (2%), apnea of prematurity (2%), intraventricular haemorrhage (2%), and more than 1 complications (16 neonates, 8%).

Conclusions: In conclusion, hypoglycaemia and jaundice were the common complications associated with low birth weight in neonates. Advanced maternal age during childbirth, stress, lower socioeconomic conditions, consanguineous marriages, lower body mass index and maternal illness such as preeclampsia and anaemia were the risk factors of low birth weight observed in our study. Risk factors may be identified earlier in order to lessen the morbidities and mortality in low birth weight neonates.
Oral Health Effects among Conventional Cigarette and Electronic Cigarette Smoking among Users in Saudi Arabia
Authors: ALOsaimi Malak Mohammed , Aldarrab Meshael , Aldabaan Lama , Dhawi Joud Bin , Alali Hanan
Published: October 2021

Introduction: The use of e cigarettes is on the rise in the Middle East Countries and Saudi Arabia especially.This study aims to evaluate the oral mucosal lesions caused due to electronic cigarette smoking (ECS) use and oral health, including ‘gingival pain and/or bleeding’, ‘tongue and/or inside-cheek pain’, and ‘cracked or broken teeth’ among adolescents.

Materials and Methods: A cross-sectional study conducted among 1300 participant in the kingdom of Saudi Arabia using a reliable and valid online questionnaire. The questionnaire was developed by the investigators and Google forms were used to collect the information. The questions were grouped into categories relating to socio-demographic data (age, gender), type of cigarette smoking (conventional, E-cigarette or booth), and cigarette smoking behavior (frequency).

Results: It was observed from the present study that even though oral mucosal lesions were more in conventional cigarette smokers but e cigarettes were not the safe option as it has ill effects also. Females used e cigarettes more (30.7%) as compared to males (28.2%). Statistically significant results were obtained for change in color of gingival, disturbed feeling in the tongue (p<0.000).

Conclusion: The usage of e cigarettes was seen more among females than males. The oral health effects and especially the change in color, dryness of the oral cavity and discoloration of the teeth were seen more with the conventional cigarettes users than the e cigarettes users. E cigarettes were also associated with ill effects of the oral cavity.
Saudi Diabetic Patients’ Beliefs and Experiences with Health Related Information from Social Media
Authors: Alotaibi Mohammed Matar , Mohd Abdul Bari
Published: October 2021

Introduction: Social media and acceptance of the information related to health is becoming acceptable to an extent for the public. The use of social media is rapidly growing and it is being used both by healthcare professionals and patients. The aim of this study was to evaluate the use of social networking applications for experience and behaviour towards health information among diabetic patients.

Materials and Methods: The present study was a cross sectional study, conducted in spring of 2020 (April to May). The distribution of the survey questionnaire was done online through various social media platforms with a convenience sample of people with diabetes (n=569), Eligibility criteria were aged 18 and above, Saudis with diagnosis of diabetes and willing to give consent were included in the study. Exclusion criteria were less than 18 years old and non-Saudis and non-diabetic.

Results: Analysis of online survey data indicated that WhatsApp (89.1%) was the most commonly used social network followed by Snapchat (66.3%), Instagram (40.6%), Twitter (35%), Telegram (19.5%), Tiktok (12.5%) and Facebook (10%). About 25 (4.4%) participants strongly agreed that health information from social media impact life positively. More than half 290(51%) participants agreed to apply information only from the trusted websites. Near about half 275(48.3%) disagreed that social media could invent treatment for diabetes more than believing in health institution and medicinal industries. Nearly one-fourth 141(24.8%) of participants agreed that all health information from social media is right. Almost 264 (46.4%) said that they sometimes face health information in social media. Nearly 265(46.6%) patients mentioned that they never applied themselves any information claiming treating diabetes.

Conclusion: This study shows the effect of social media on diabetic patients and various responses of diabetic patients in regard of their beliefs and experience towards health information from social media. Most of the respondents agreed that they apply information obtained from social network and the same could lead to some deleterious effects on health.
Analisis Visual Wayang Kulit Eklektik “Ananta Yudha” Karya Is Yuniarto
Authors: Anjani Vania , Hagijanto Andrian Dektisa , Asthararianty Asthararianty
Published: October 2021

Sejak Desember 2015, Is Yuniarto mengunggah karya visual figur wayang dengan visualisasi menggunakan percampuran figur wayang kulit nusantara dengan karakter-karakter figur superhero di akun media sosialnya. Salah satu karyanya yang terkenal adalah Wayang Ananta Yudha, yang muncul pada bulan April 2018. Karakteristik wayang Ananta Yudha merupakan representasi dari figur-figur pada film Avengers: Infinity War yang saat itu sedang ramai dibicarakan karena filmnya akan dirilis. Penelitian kualitatif ini bertujuan untuk memaknai bentuk visualisasi dan fenomena munculnya wayang Ananta Yudha, menggunakan metode deskriptif kualitatif dengan cara analisis memakai semiologi Barthes. Teori-teori yang dipakai adalah pop culture, eklektik, dan komodifikasi. Wayang Ananta Yudha menjadi ungkapan karya visual budaya populer yang merupakan pencampuran unsur-unsur masa lalu dengan masa kini, serta menjadi bentuk komodifikasi atas figur superhero karya Marvel Studio.
Cardiolipin prevents pore formation in phosphatidylglycerol bacterial membrane models
Authors: Rocha‐Roa Cristian , Orjuela Juan David , Leidy Chad , Cossio Pilar , Aponte‐Santamaría Camilo
Published: October 2021

Several antimicrobial peptides, including magainin and the human cathelicidin LL‐37, act by forming pores in bacterial membranes. Bacteria such as Staphylococcus aureus modify their membrane's cardiolipin composition to resist such types of perturbations that compromise their membrane stability. Here, we used molecular dynamic simulations to quantify the role of cardiolipin on the formation of pores in simple bacterial‐like membrane models composed of phosphatidylglycerol and cardiolipin mixtures. Cardiolipin modified the structure and ordering of the lipid bilayer, making it less susceptible to mechanical changes. Accordingly, the free‐energy barrier for the formation of a transmembrane pore and its kinetic instability augmented by increasing the cardiolipin concentration. This is attributed to the unfavorable positioning of cardiolipin near the formed pore, due to its small polar head and bulky hydrophobic body. Overall, our study demonstrates how cardiolipin prevents membrane‐pore formation and this constitutes a plausible mechanism used by bacteria to act against stress perturbations and, thereby, gain resistance to antimicrobial agents.
Effects of violent and nonviolent sexualized media on aggression‐related thoughts, feelings, attitudes, and behaviors: A meta‐analytic review
Authors: Burnay Jonathan , Kepes Sven , Bushman Brad J.
Published: October 2021

Women are often depicted as sex objects rather than as human beings in the media (e.g., magazines, television programs, films, and video games). Theoretically, media depictions of females as sex objects could lead to negative attitudes and even aggressive behavior toward them in the real world. Using the General Aggression Model (Anderson & Bushman, 2002) as a theoretical framework, this meta‐analytic review synthesizes the literature on the effects of sexualized media (both violent and nonviolent) on aggression‐related thoughts, attitudes, and behaviors. Our sample includes 166 independent studies involving 124,236 participants, which yielded 321 independent effects. Overall, the effects were “small” to “moderate” in size (r = .16 [.14–.18]). Significant correlations were found in experimental, cross‐sectional, and longitudinal studies, indicating a triangulation of evidence. Effects were stronger for violent sexualized media (r = .25 [.19–.31]) than for nonviolent sexualized media (r = .15 [.13–.17]), although the effects of nonviolent sexualized media were still significant and nontrivial in size. Moreover, the effects of violent sexualized media on aggression were greater than the effects of violent non‐sexualized media on aggression obtained in previous meta‐analyses. Effects were similar for male and female participants, for college students and non‐students, and for participants of all ages. The effects were also stable over time. Sensitivity analyses found that effects were not unduly influenced by publication bias and/or outliers. In summary, exposure to sexualized media content, especially in combination with violence, has negative effects on women, particularly on what people think about them and how aggressively they treat them.
Recommendations to disclose sexual assault are motivated by retribution among women who endorse honor values
Authors: Crowder Marisa K. , McLean Caitlin L. , Kemmelmeier Markus
Published: October 2021

Rape arrests are higher in US states wherein residents more typically endorse honor values. Because honor values reflect an association between reputation and self‐worth, which is based on one's ability to uphold traditional gender norms, one should expect that women who endorse honor values are motivated to conceal a sexual assault. However, honor values also engender the expectation that women defend their reputations if threatened. Thus, women from honor cultures should be more likely to seek retribution by disclosing a sexual assault to others. The current research investigates the impact of honor values on the recommendation to disclose a sexual assault when women believe the victim is motivated to protect her reputation. We evaluated the role of common post‐rape emotions (shame, anger, and fear) on motivations to either conceal a “victim” status or to punish the transgression. In two studies, US women (total n = 842) responded to vignettes of sexual assault that varied the relationship of the perpetrator (acquaintance or husband). Using path modeling to test the two competing hypotheses, we found that women who endorsed honor values more strongly perceived that the victim of a sexual assault experienced more anger and fear, was more likely to seek retribution, and, in turn, were more likely to recommend that she disclose to confidants (similar across the acquaintance and husband scenarios). These findings may help increase researchers' and practitioners' cultural understanding of the help‐seeking behavior of survivors of sexual assault across different communities.
Rationally Designed Dual‐Mesoporous Transition Metal Oxides/Noble Metal Nanocomposites for Fabrication of Gas Sensors in Real‐Time Detection of 3‐Hydroxy‐2‐Butanone Biomarker
Authors: Ma Junhao , Li Yanyan , Li Jichun , Yang Xuanyu , Ren Yuan , Alghamdi Abdulaziz A. , Song Guoxin , Yuan Kaiping , Deng Yonghui
Published: October 2021

Transition metal oxides/noble metal (TMOs/NM) nanocomposites are one kind of important material for semiconductor gas sensors. The controllable construction of a highly connected mesoporous structure and easily accessible active sites is essential for gas sensing performance but remains a great challenge. Herein, a soluble mercapto phenolic resin polymer mediated co‐assembly approach is proposed for the construction of ordered dual mesoporous structure and the simultaneous loading of highly dispersed noble metal nanoparticles. The home‐made soluble mercapto phenolic resin polymer enabled the co‐assembly of transition metal precursors, noble metal precursors, and poly(ethylene oxide)‐block‐polystyrene (PEO‐b‐PS) micelles, resulting in a straightforward synthesis of ordered dual‐mesoporous TMOs/NM nanocomposites (e.g., WO3/Au, TiO2/Au, NbOx/AuPd). As proof of the concept, the synthesized dual‐mesoporous WO3/Au materials are applied for sensing of 3‐hydroxy‐2‐butanone, a biomarker of food‐borne pathogenic bacteria Listeria monocytogenes. The sensors exhibit high sensitivity (Ra/Rg = 18.8 to 2.5 ppm) and high selectivity based on their noble metal sensitization and superior mesopore connectivity for gas diffusion. Furthermore, the synthesized gas sensors are integrated into a wireless sensing module connected to a smartphone, providing a rapid and convenient real‐time detection of 3‐hydroxy‐2‐butanone.
Strain‐Enabled Phase Transition of Periodic Metasurfaces
Authors: Yu Jiancan , Liu Zhihua , Wang Ming , Wang Changxian , Chen Geng , Cui Zequn , Wang Ting , Yang Hui , Wang Xiaotian , Chen Xiaodong
Published: October 2021

Phase transitions are universal in solid‐state matters, as well as in periodic electromagnetic metasurfaces—the photonic analogues of crystals. Although such transitions dictate the properties of active metasurfaces, universal ways to describe the structure transition of periodic metasurfaces have not yet been established. Here, the authors report the strain‐enabled phase transition (or lattice deformation) of stretchable metasurfaces with the crystallographic description. They analytically and experimentally demonstrate the phase transition of plasmonic lattices between two arbitrary 2D Bravais lattices under certain strain configurations. The strain‐induced symmetry lowering of the structures gives rise to optical anisotropy upon polarization, namely, linearly and circularly polarized dichroism. They further demonstrate the potential of phase transition in information decoding with applied strain. Interpreting the phase transition of metasurfaces from a standpoint of symmetry would accelerate the discovery of emergent properties, and provide a generalizable approach to designing active metasurfaces.
Optimized Colossal Near‐Field Thermal Radiation Enabled by Manipulating Coupled Plasmon Polariton Geometry
Authors: Shi Kezhang , Chen Zhaoyang , Xu Xinan , Evans Julian , He Sailing
Published: October 2021

Collective optoelectronic phenomena such as plasmons and phonon polaritons can drive processes in many branches of nanoscale science. Classical physics predicts that a perfect thermal emitter operates at the black body limit. Numerous experiments have shown that surface phonon polaritons allow emission two orders of magnitude above the limit at a gap distance of ≈50 nm. This work shows that a supported multilayer graphene structure improves the state of the art by around one order of magnitude with a ≈1129‐fold‐enhancement at a gap distance of ≈55 nm. Coupled surface plasmon polaritons at mid‐ and far‐infrared frequencies allow for near‐unity photon tunneling across a broad swath of k‐space enabling the improved result. Electric tuning of the Fermi‐level allows for the detailed characterization and optimization of the colossal nanoscale heat transfer.
Uncommon Behavior of Li Doping Suppresses Oxygen Redox in P2‐Type Manganese‐Rich Sodium Cathodes
Authors: Xiao Biwei , Liu Xiang , Chen Xi , Lee Gi‐Hyeok , Song Miao , Yang Xin , Omenya Fred , Reed David M. , Sprenkle Vincent , Ren Yang , Sun Cheng‐Jun , Yang Wanli , Amine Khalil , Li Xin , Xu Guiliang , Li Xiaolin
Published: October 2021

Utilizing both cationic and anionic oxygen redox reactions is regarded as an important approach to exploit high‐capacity layered cathode materials with earth abundant elements. It has been popular strategies to effectively elevate the oxygen redox activities by Li‐doping to introduce unhybridized O 2p orbitals in NaxMnO2‐based chemistries or enabling high covalency transition metals in P2‐Na0.66MnxTM1−xO2 (TM = Fe, Cu, Ni) materials. Here, the effect of Li doping on regulating the oxygen redox activities P2‐structured Na0.66Ni0.25Mn0.75O2 materials is investigated. Systematic X‐ray characterizations and ab initio simulations have shown that the doped Li has uncommon behavior in modulating the density of states of the neighboring Ni, Mn, and O, leading to the suppression of the existing oxygen and Mn redox reactivities and the promotion of the Ni redox. The findings provide a complementary scenario to current oxygen redox mechanisms and shed lights on developing new routes for high‐performance cathodes.
Bioinspired Perfluorocarbon‐Based Oxygen Carriers with Concave Shape and Deformable Shell
Authors: Fu Xiaoting , Ohta Seiichi , Kawakatsu Takahiro , Kamihira Masamichi , Sakai Yasuyuki , Ito Taichi
Published: October 2021

Human red blood cells (hRBCs) possess a unique biconcave structure with a highly deformable cell membrane and condensed cytosol hemoglobin for oxygen delivery. Inspired by hRBCs, novel deformable core‐shell particles are developed as perfluorocarbon‐based oxygen carriers (OCs), called “cDFCs” (concave‐shaped deformable PFC‐based OCs), using the Shirasu porous glass (SPG) membrane emulsification technique. cDFCs have a perfluorooctyl bromide core of high oxygen solubility and poly(lactide‐co‐caprolactone) shell, which is thin and highly deformable. They have an optical equivalent diameter of 7.9 ± 2.5 µm and a unique concave shape. Owing to their low Young's modulus (93 kPa) and their diameter and shape, they successfully pass through a 4.5‐µm‐gap silicon microchannel as a blood capillary model. Enhanced oxygen supply to multiple layered cells is demonstrated under hypoxic conditions, indicating their efficiency as OCs. cDFCs are new potential OCs in tissue engineering and blood substitution in the future.
Agricultural support and contaminated spillovers: The effects of agricultural water pollution on adult health in China
Authors: Lu Na , Villa Kira M.
Published: October 2021

Using rich longitudinal data combined with administrative water quality data from China, we examine the causal impact of agricultural water pollution on adult health outcomes. To obtain exogenous variation in agricultural water pollution, we use a quasi‐experimental design and exploit a series of agricultural support policies enacted in China in the mid‐2000s. We find that agricultural water pollution worsens health outcomes through increased incidence of morbidity and lower body mass index. We additionally find these adverse health effects largely operate through contaminated drinking water and are thus primarily born by those without access to water treated at a water plant.
Genetic diversity of wild and cultivated Coffea canephora in northeastern DR Congo and the implications for conservation
Authors: Vanden Abeele Samuel , Janssens Steven B. , Asimonyio Anio Justin , Bawin Yves , Depecker Jonas , Kambale Bienfait , Mwanga Mwanga Ithé , Ebele Tshimi , Ntore Salvator , Stoffelen Piet , Vandelook Filip
Published: October 2021

Premise

Many cultivated coffee varieties descend from Coffea canephora, commonly known as Robusta coffee. The Congo Basin has a century‐long history of Robusta coffee cultivation and breeding, and is hypothesized to be the region of origin of many of the cultivated Robusta varieties. Since little is known about the genetic composition of C. canephora in this region, we assessed the genetic diversity of wild and cultivated C. canephora shrubs in the Democratic Republic of the Congo.

Methods

Using 18 microsatellite markers, we studied the genetic composition of wild and backyard‐grown C. canephora shrubs in the Tshopo and Ituri provinces and multiple accessions from the INERA Yangambi Coffee Collection. We assessed genetic clustering patterns, genetic diversity, and genetic differentiation between populations.

Results

Genetic differentiation was relatively strong between wild and cultivated C. canephora shrubs, and both gene pools harbored multiple unique alleles. Strong genetic differentiation was also observed between wild populations. The level of genetic diversity in wild populations was similar to that of the INERA Yangambi Coffee Collection, but local wild genotypes were mostly missing from that collection. Shrubs grown in the backyards were genetically similar to the breeding material from INERA Yangambi.

Conclusions

Most C. canephora that is grown in local backyards originated from INERA breeding programs, while a few shrubs were obtained directly from surrounding forests. The INERA Yangambi Coffee Collection could benefit from an enrichment with local wild genotypes to increase the genetic resources available for breeding purposes and to support ex situ conservation.
Circular Permutated PQQ‐Glucose Dehydrogenase as an Ultrasensitive Electrochemical Biosensor
Authors: Guo Zhong , Smutok Oleh , Johnston Wayne A. , Ayva Cagla Ergun , Walden Patricia , McWhinney Brett , Ungerer Jacobus P. J. , Melman Artem , Katz Evgeny , Alexandrov Kirill
Published: October 2021

Protein biosensors play an increasingly important role as reporters for research and clinical applications. Here we present an approach for the construction of fully integrated but modular electrochemical biosensors based on the principal component of glucose monitors PQQ‐glucose dehydrogenase (PQQ‐GDH). We designed allosterically regulated circular permutated variants of PQQ‐GDH that show large (>10‐fold) changes in enzymatic activity following intramolecular scaffolding of the newly generated N‐ and C termini by ligand binding domain/ligand complexes. The developed biosensors demonstrated sub‐nanomolar affinities for small molecules and proteins in colorimetric and electrochemical assays. For instance, the concentration of Cyclosporine A could be measured in 1 μL of undiluted blood with the same accuracy as the leading diagnostic technique that uses 50 times more sample. We further used this biosensor to construct highly porous gold bioelectrodes capable of robustly detecting concentrations of Cyclosporine A as low as 20 pM and retained functionality in samples containing at least 60 % human serum.
Optimal refinancing strategy for mortgage rate with regime switching
Authors: Zhou Congjin , Wang Guojing , Guo Jie
Published: October 2021

We investigate an optimal refinancing problem for an interest‐only mortgage, where the market mortgage rate is defined as the classical Black‐Scholes geometric Brownian motion with regime switching. We verify that the optimal refinancing strategy only depends on the quotient between the market mortgage rate and the borrowing rate. We show that the optimal refinancing strategy is of threshold type. By reducing the two‐dimensional optimal refinancing problem to a one‐dimensional problem, we obtain the system of equations that the function with respect to quotient satisfies. Analytic solutions are obtained in one‐ and two‐regime cases. Finally, we present some numerical results to illustrate the influence of the model parameters on the optimal refinancing strategy.
Mortality in men with castration‐resistant prostate cancer—A long‐term follow‐up of a population‐based real‐world cohort
Authors: Khoshkar Yashar , Westerberg Marcus , Adolfsson Jan , Bill‐Axelson Anna , Olsson Henrik , Eklund Martin , Akre Olof , Garmo Hans , Aly Markus
Published: October 2021

Objectives

The objective of this study is to find clinical variables that predict the prognosis for men with castration‐resistant prostate cancer (CRPC) in a Swedish real‐life CRPC cohort, including a risk group classification to clarify the risk of succumbing to prostate cancer. This is a natural history cohort representing the premodern drug era before the introduction of novel hormonal drug therapies.

Methods

PSA tests from the clinical chemistry laboratories serving health care in six regions of Sweden were retrieved and cross‐linked to the National Prostate Cancer Registry (NPCR) to identify men with a prostate cancer diagnosis. Through further cross‐linking with data sources at the Swedish Board of Health and Welfare, we retrieved other relevant information such as prescribed drugs, hospitalizations, and cause of death. Men entered the CRPC cohort at the first date of doubling of their PSA nadir value with the last value being >2 ng/ml, or an absolute increase of >5 ng/ml or more, whilst on 3 months of medical castration or if they had been surgically castrated (n = 4098). By combining the two variables with the largest C‐statistics, “PSA at time of CRPC” and “PSA doubling time,” a risk group classification was created.

Results

PSA‐DT and PSA at date of CRPC are the strongest variables associated with PC specific survival. At the end of follow‐up, the proportion of men who died due to PC was 57%, 71%, 81%, 86%, and 89% for risk categories one through five, respectively. The median overall survival in our cohort of men with CRPC was 1.86 years (95% CI: 1.79–1.97).

Conclusion

For a man with castration‐resistant prostate cancer, there is a high probability that this will be the main cause contributing to his death. However, there is a significant difference in mortality that varies in relation to tumor burden assessed as PSA doubling time and PSA at time of CRCP. This information could be used in a clinical setting when deciding when to treat more or less aggressively once entering the CRPC phase of the disease.
Viral adventitious agent detection using laser force cytology: Intrinsic cell property changes with infection and comparison to in vitro testing
Authors: Hayes Peter R. , Przybycien Todd M. , Schneider James W.
Published: October 2021

Adventitious agent testing in biomanufacturing requires assays of broad detection capability to screen for as many infectious agents as possible. The current gold standard for general infectious adventitious virus screening is the in vitro assay in which test articles are cultured onto a panel of different cell lines and observed for cytopathic effect (CPE). However, this assay is inherently subjective due to the nature of visual observation of cell morphology and labor and time intensive, requiring highly trained personnel to identify CPE. Laser force cytology (LFC) is an alternative, automated analytical method that uses a combination of optical and fluidic forces along with imaging to objectively and quantitatively assess CPE in cell culture. Importantly, because LFC uses no labels or antibodies, the assay is appropriate for general adventitious agent testing. Using LFC, changes in cellular features associated with virally infected cells were identified using principal component analysis. Using these features of infected cells, the sensitivity and earliness of detection with LFC was directly compared with the in vitro assay for a diverse panel of viruses incubated with chinese hamster ovary (CHO), Vero, and Medical Research Council cell strain 5 (MRC‐5) cells. LFC detected viral infection with a sensitivity equal to the in vitro assay on average, but in certain virus and cell combinations including mouse minute virus (MMV) and reovirus 3 in CHO cells, detection was 4 days earlier and for MMV, the limit of detection was 10‐fold lower. Overall, these results demonstrate the ability of LFC to serve as a biopharmaceutical adventitious agent testing methodology with sensitivity equivalent to the in vitro assay, but in an objective and automated manner.
The Effect of Water on the 2‐Propanol Oxidation Activity of Co‐Substituted LaFe1−xCoxO3 Perovskites
Authors: Dreyer Maik , Cruz Daniel , Hagemann Ulrich , Zeller Patrick , Heidelmann Markus , Salamon Soma , Landers Joachim , Rabe Anna , Ortega Klaus Friedel , Najafishirtari Sharif , Wende Heiko , Hartmann Nils , Knop‐Gericke Axel , Schlögl Robert , Behrens Malte
Published: October 2021

Perovskites are interesting oxidation catalysts due to their chemical flexibility enabling the tuning of several properties. In this work, we synthesized LaFe1−xCoxO3 catalysts by co‐precipitation and thermal decomposition, characterized them thoroughly and studied their 2‐propanol oxidation activity under dry and wet conditions to bridge the knowledge gap between gas and liquid phase reactions. Transient tests showed a highly active, unstable low‐temperature (LT) reaction channel in conversion profiles and a stable, less‐active high‐temperature (HT) channel. Cobalt incorporation had a positive effect on the activity. The effect of water was negative on the LT channel, whereas the HT channel activity was boosted for x>0.15. The boost may originate from a slower deactivation rate of the Co3+ sites under wet conditions and a higher amount of hydroxide species on the surface comparing wet to dry feeds. Water addition resulted in a slower deactivation for Co‐rich catalysts and higher activity in the HT channel state.
Controllable Macroscopic Chirality of Coordination Polymers through pH and Anion‐Mediated Weak Interactions
Authors: Wu Lan‐Qing , Xu Yan , Hou Ting , Jia Jia‐Ge , Huang Xin‐Da , Weng Guo‐Guo , Bao Song‐Song , Zheng Li‐Min
Published: October 2021

Helical architectures with controllable helical sense bias have recently attracted considerable interest for mimicking biological helices and developing novel chiral materials. Coordination polymers (CPs), composed of metal ion nodes and organic linkers, are intriguing systems showing tunable structures and functions. However, CPs with helical morphologies have rarely been explored so far. Particularly, chirality inversion through external stimulus has not been achieved in helical CPs. In this work, we carried out an in‐depth investigation on the self‐assembly of 1D gadolinium(III) phosphonate CPs using GdX3 (X=Cl, Br, I) and Gd(RSO3) (R=CH3, C6H5, CF3) as metal sources and R‐(1‐phenylethylamino)methyl phosphonic acid (R‐pempH2) as ligand. Superhelices were formed by precise control of the interchain interactions through different intercalated anions. Furthermore, the twisting direction of superhelices could be controlled by synergistic effect of anions and pH. This study may provide a new route to fabricate helical nanostructures of CPs with a desirable chiral sense and help understand the inner mechanism of the self‐assembly process of macroscopic helical structures of molecular systems.
Fluorination Reactions at a Platinum Carbene Complex: Reaction Routes to SF3, S(=O)F and Fluorido Complexes
Authors: Dirican Dilcan , Talavera Maria , Braun Thomas
Published: October 2021

The electron‐rich Pt complex [Pt(IMes)2] (IMes: [1,3‐bis(2,4,6‐trimethylphenyl)‐2‐imidazolinylidine]) can be used as precursor for the syntheses of a variety of fluorido ligand containing compounds. The sulfur fluoride SF4 undergoes a rapid oxidative addition at Pt0 to yield trans‐[Pt(F)(SF3)(IMes)2]. A photolytic reaction of SF6 at [Pt(IMes)2] in the presence of IMes gave the fluorido complexes trans‐[Pt(F)2(IMes)2] and trans‐[Pt(F)(SF3)(IMes)2] along with trans‐[Pt(F)(SOF)(IMes)2] and trans‐[Pt(F)(IMes’)(IMes)] (IMes’: cyclometalated IMes ligand), the latter being products produced by reaction with adventitious water. trans‐[Pt(F)(SOF)(IMes)2] and trans‐[Pt(F)2(IMes)2] were synthesized independently by treatment of [Pt(IMes)2] with SOF2 or XeF2. A reaction of [Pt(IMes)2] with a HF source gave trans‐[Pt(H)(F)(IMes)2], and an intermediate bifluorido complex trans‐[Pt(H)(FHF)(IMes)2] was identified. Compound trans‐[Pt(H)(F)(IMes)2] converts in the presence of CsF into trans‐[Pt(F)(IMes’)(IMes)].
Development of an electrochemical flow‐through cell for the fast and easy generation of isotopically labeled metabolite standards
Authors: Göldner Valentin , Fangmeyer Jens , Karst Uwe
Published: October 2021

In drug development, metabolite standards of new chemical entities are required for a comprehensive safety evaluation. Stable isotope‐labeled internal metabolite standards at the milligram scale, which are difficult and expensive to synthesize in common bottom‐up approaches, are necessary for metabolite quantification using liquid chromatography/mass spectrometry. A preparative electrochemical flow‐through cell is presented here as a powerful tool for the cheap and straightforward synthesis of milligram amounts of isotopically labeled metabolite standards. The developed cell scales up established, so‐called “coulometric” electrochemical cells. Problems like electrode fouling and cross contamination between syntheses are addressed by the use of exchangeable working electrodes. The applicability of the developed cell for the synthesis of metabolite standards is demonstrated using isotopically labeled acetaminophen as a model system for the generation of a biologically relevant phase II metabolite.
Determination of ghrelin and desacyl ghrelin in human plasma and urine by means of LC–MS/MS for doping controls
Authors: Thomas Andreas , Krombholz Sophia , Wolf Carina , Thevis Mario
Published: October 2021

The hunger hormone ghrelin (G) is classified as prohibited substance in professional sport by the World Anti‐Doping Agency (WADA), due to its known growth hormone releasing properties. The endogenous bioactive peptide consists of 28 amino acids with a caprylic acid attached to serine at position 3. Within this study, it was aimed to develop methods to determine G and desacyl ghrelin (DAG) in plasma and urine by means of LC–MS/MS. Two strategies were applied with a bottom‐up approach for plasma and top‐down analyses for urine. Both sample preparation procedures were based on solid‐phase extraction for enrichment and sample clean‐up. Method validation showed good results for plasma and urine with limits of detection (LODs) for G and DAG between 30 and 50 pg/ml, recoveries between 45–50%, and imprecisions (intra‐ and inter‐day) between 3% and 24%. Plasma analysis was also valid for quantification with accuracies determined with ~100% for G and ~106% for DAG. The minimum required performance level for doping control laboratories is set to 2 ng/ml in urine, and the herein established method yielded acceptable results even at 5% of this level. As proof‐of‐concept, plasma levels (G and DAG) of healthy volunteers were determined and ranged between 30 and 100 pg/ml for G and 100–1200 pg/ml for DAG. In contrast to earlier reported studies using ligand binding assays for urinary G and DAG, in this mass spectrometry‐based study, no endogenous urinary G and DAG were found, although the LODs should enable this.
Defective/Doped Graphene‐Based Materials as Cathodes for Metal–Air Batteries
Authors: Zhang Qinming , Wang Chengyi , Xie Zhaojun , Zhou Zhen
Published: October 2021

Graphene, as a proof‐of‐concept two‐dimensional material, has proven to have excellent physical and chemical properties. Its derivatives, such as defective or doped graphene, are also applied as catalytic materials for metal–air batteries (MABs). MABs have been recognized as possible candidates for new‐generation energy storage systems due to their ultra‐high theoretical energy density. So far, graphene and its derivatives with optimized structures have been widely explored to improve the electrochemical performance in MABs. Generally speaking, perfect graphene crystalline is inert for many catalytic processes, while defects and heteroatoms can endow graphene with high activity for many electrocatalytic reactions. Under this circumstance, recent progress is summarized for defective/doped graphene as air cathodes in aqueous or organic MABs, which are actually different electrochemical systems with distinct requirements for air cathodes. Also, the relationship is clarified between graphene defects/doping and electrocatalytic mechanisms that can be the guidance for catalyst design. Future directions are also prospected for the development of graphene‐based MAB cathodes.
Enhanced Hydrogen Evolution Catalysis from Hierarchical Nanostructure Co−P@CoMo−P Electrode
Authors: Han Dongdong , Xie Yufang , Wu Yishang , Xu Kangli , Qian Yitai
Published: October 2021

The construction of hierarchical nanostructures is a fascinating target because of their promising applications in electronic analysis and catalysis. Herein, we establish a 3‐d hierarchical nanostructure Co−P@CoMo−P to enhance the catalytic ability. The hydrogen evolution reaction catalytic ability was enhanced significantly with a Tafel slope of 34 mV dec−1 and an overpotential of 37 mV to achieve 10 mA cm−2, which are superior to that of recently reported non‐noble metal catalysts. The high catalytic performance could be rationalized as follows: (1) Co−P nanowire intimately contacted with Ni foam enables good mechanical adhesion and facilitates the flow of electrons from Ni foam to CoMo−P nanosheet; (2) the hierarchical nanostructure can expose more active sites and transport reactants and products sufficiently; (3) the space between two separate hierarchical nanostructures is loose and open, allowing electrolyte to diffuse into all the active sites and make them used efficiently. This work is promising for the development of novel non‐noble metal catalysts for energy technologies.
Thioether‐Containing Copper Complexes as PHM, DβM, and TβM Model Systems
Authors: Gómez‐Vidales Virginia , Castillo Ivan
Published: October 2021

This minireview presents efforts of synthetic chemists to mimic the active site of the copper monooxygenase enzymes peptidylglycine α‐hydroxylating monooxygenase (PHM), dopamine β‐monooxygenase (DβM), and tyramine β‐monooxygenase (TβM), all of which feature copper‐thioether ligation in their resting states. These monooxygenases are involved in the initial activation of O2 to generate neurotransmitters by the selective activation of C−H bonds of their corresponding substrates, resulting in subsequent hydroxylation. Attempts to emulate the N2S donor set provided by the two histidines and the methionine residues that coordinate to copper in the active site employ N2S and N3S‐type ligands, with the latter ones providing the best conditions for testing the reactivity of their CuI complexes with dioxygen. Identification of CuII‐superoxos as capable agents for C−H activation has provided support for these species as the key reactive intermediates in the enzymatic systems. Synthetic end‐on [CuII‐η1‐O2.−] and side‐on [CuII‐η2‐O2.−] cupric superoxos are capable of such transformations, which is related to the open question of whether the methionine S‐donor may act as a hemilabile ligand in biological systems.
Passerini and Ugi Reactions Involving Kinetically Unstable Isocyanides
Authors: Quelhas Alexandre , Gazzeh Houda , Roisnel Thierry , Trolez Yann , Guillemin Jean‐Claude
Published: October 2021

Kinetically unstable isocyanides as vinyl, allenyl and propargyl isocyanides react in Passerini and Ugi reactions faster than they decompose and lead to functionalized α‐acyloxy amides and α‐amino amides, respectively, which can subsequently be used in reactions involving the unsaturated substituent.
Electrochemical Immunosensor for the Sensitive Detection of Alzheimer's Biomarker Amyloid‐β (1–42) Using the Heme‐amyloid‐β (1–42) Complex as the Signal Source
Authors: Ding Minling , Shu Qi , Zhang Nan , Yan Chaoren , Niu Huizhe , Li Xiaoqian , Guan Ping , Hu Xiaoling
Published: October 2021

The amyloid‐β peptide (1–42) (Aβ42) can provide high diagnostic accuracy for the early diagnosis of Alzheimer's disease (AD). In this study, an immunosensor based on the peroxidase‐like activity of heme‐Aβ42 was designed for Aβ42 detection. The glassy carbon electrode (GCE) was electrodeposited Au particles (GCE/Au). The GCE/Au was modified using polythionine‐methylene blue (PTH−MB), AuNPs, monoclonal antibody (anti‐Aβ42), and bovine serum albumin (BSA), successively. The GCE/Au/PTH−MB/AuNPs/anti‐Aβ42/BSA could competitively recognize Aβ42 and heme‐Aβ42. The anchored heme‐Aβ42 showed strong electrocatalytic activity between H2O2 and ferrocenemethanol. Under optimum conditions, we determined detection limits of 17.3 pM in PBS pH 7, 25.2 pM in serum, and 23.8 pM in saliva. The recovery ranged from 71.0 % to 117.8 %.
Carbon stocks in umbric ferralsols driven by plant productivity and geomorphic processes, not by mineral protection
Authors: Martinez Pedro , Silva Lucas C. R. , Calegari Marcia Regina , de Camargo Plinio Barbosa , Vidal‐Torrado Pablo , Kleber Markus
Published: October 2021

Umbric ferralsols (UF) have organic carbon stocks within the first 1 m of soil profile depth that are nearly double the size (~19 kg C m−2) compared to the average carbon stocks of all other ferralsols (~10 kg C m−2). Here, we investigate processes that allow UF to gain and maintain such extraordinary carbon stocks. Using the International Soil Research and Information Center database, complemented with recently published datasets, we show that the carbon saturation capacity of the clay + silt fractions in UF (22.8 ± 5.7 g C kg−1 soil, n = 59) does not exceed the carbon saturation capacity in other ferralsols (23.3 ± 6.2 g C kg−1 soil, n = 165), thus eliminating a particularly retentive mineral matrix as a possible explanation. Rather, carbon stocks were correlated with the thickness of A horizons (106 ± 49 cm, n = 59 in umbric versus 35 ± 22 cm, n = 165 in non‐umbric ferralsols). We subsequently hypothesized that differences in A‐horizon thickness arose from two pedogenic scenarios: (i) superior carbon accrual resulting from a unique vegetation cover capable of allocating large quantities of carbon to belowground plant organs; and (ii) geomorphic processes that led to carbon burial. We evaluated the plausibility of these scenarios considering landscape history and associated carbon flux rates, hillslope position, as well as δ13C values and Ti/Zr ratios for subsets of ferralsol profiles studied by us in a region that encompasses latitudes from 26 to 7°S in eastern Brazil. We found that exceptional carbon stocks were most prevalent in the gradual transition zone (ecotone) between savanna and rainforest, likely resulting from erosion–deposition processes, historic changes of vegetation cover composed of grasses and arboreal elements, and active bioturbation. We suggest that attempts to sequester carbon in non‐umbric ferralsols will be most successful if they emulate or promote the biotic and abiotic processes prevalent in the savanna/rainforest ecotone.