bluuebunny/crossref_metadata_2025 huggingface dataset:
A Study on Consumer Awareness, Preference and Buying Behavior for Cold Pressed Oil in Hyderabad, India
Authors: Kethavath Srujana , Seema . , Pagadala Radhika , Supriya .
Published: August 2021

The interest in natural and organic food, including oils and fats, has grown in the last few years. The cold-pressed extraction concept was uniquely used to extract oils from oilseeds, and these cold pressed oils have a great significance in cosmetics, medicinal purposes and are also used in cooking. The usage of the cold pressed oil has increased in recent days. A study was conducted in Hyderabad city of Telangana state to investigate the consumer awareness level, preferences, buying behavior and opinion on cold pressed oils and their willingness to buy. The study included a sample of 90 consumers of cold pressed oil. Consumers were selected randomly from segmented areas. Percentages and factor analysis methods were used for analysis of the data collected. The study reported that respondents have a minimum awareness of cold pressed oils, whereas the consumers of cold pressed oil preferred health aspects as the main reason in purchasing it, price was the other main factor that influenced the purchase decision of the consumers. Educational level and income were directly linked to the buying behavior of the consumers as majority of the respondents were graduates who were residing in urban areas with an earning capacity of above 9 lakhs per annum. These attributes implied that literates and high-income respondents were comparatively more aware of the health benefits of cold pressed oils and were also willing to pay a higher price. Product attributes, product appearance, good service offered and nutritional aspects are four factors which influence the consumers to purchase cold pressed oil.
Antibacterial Compounds from Microorganisms Isolated from Deep Sea Sediment: A Mini Review
Authors: Permana Rega , Andhikawati Aulia
Published: August 2021

The search for new antibacterial compounds using sources derived from marine biota is interesting to develop, considering that Indonesia has diversity of a very large microorganisms and has the potential to produce antibacterial substances. One of the microbial resources that has not been widely exploited is the microorganisms present in deep sea sediments. The deep sea has variations in the availability of nutrients, light, oxygen, concentration, pressure, salinity, and temperature. This condition also triggers marine microorganisms to develop unique physiological abilities. The physiological ability of deep sea microorganisms not only to survive, but also has an impact on their ability to produce unique metabolites that are not owned by terrestrial microorganisms. Here we will review some reported study on the search of antibacterial compounds from microorganisms isolated from the deep sea sediment. The fundamental basic of antibacterial will be discussed followed by several reported antibacterial compounds from the sediment bacteria. This opens door for the search of new microorganisms that produced new chemical compounds with beneficial application in human health as well as in other field.
Application of Mathematical Models in Drug Release Kinetics of Cyanocobalamine Fast Dissolving Sublingual Film
Authors: Patel Adil , Kalsariya Ami , Patel Srushti , Patel Chandni , Patel Shreya
Published: August 2021

The aim of present work is to determine and analyse the kinetics of drug release from the fast dissolving sublingual by employing various mathematical models. A study was done with Cyanocobalamine fast dissolving sublingual films, 1.5 mg/film by employing solvent casting technique using dehydrated banana starch and Gelatin. The in-vitro drug release profile was carried out in pH 6.8 phosphate buffer (900 mL) using USP dissolution apparatus I (Basket) at 50 rpm for 20 mins. The drug release data was obtained, quantitatively correlated and interpreted with various mathematical models viz. Zero order model, first order model, Higuchi model, Hixson-Crowell model and Korsmeyer-Peppas model and evaluated to understand the kinetics of drug release. The criterion for the most suitable model was based on the high degree of coefficient of correlation of drug release profile of Cyanocobalamine fast dissolving sublingual films.
Effect of Integrated Nutrient Management on Productivity and Economics of Indian Mustard (Brassica juncea L)
Authors: Varma Golla Ravi , Satish P. , Hussain S. A. , Sharma S. Harish Kumar
Published: August 2021

An experiment was carried out at College farm, College of Agriculture, Rajendranagar, Hyderabad, Telangana, in sandy loam soils during rabi 2020 to study the effect of integrated nutrient management on productivity and economics of Indian mustard (Brassica juncea L.). The treatments comprised were: T1- Control (100% RDF -80:40:40 kg NPK ha-1), T2 (25% RDN through Vermicompost + 75% RDF), T3 (25% RDN through Farm Yard Manure + 75% RDF), T4 (25% RDN through Sheep manure + 75% RDF), T5 (25% RDN through Neem cake + 75% RDF),T6 (50% RDN through Vermicompost + 50% RDF), T7 (50% RDN through FYM + 50% RDF), T8 (50% RDN through Sheep manure + 50% RDF), T9 (50% RDN through Neem cake + 50% RDF). The results indicated that application of 25% RDN through farm yard manure + 75% RDF (T3) recorded significantly higher yield attributes viz., number of branches plant-1, number of siliqua plant-1, length of siliqua,  number of seed siliqua -1 which was at par with T2 (25% RDN through Vermicompost + 75% RDF). Higher values of gross returns, net returns and benefit cost (B:C) ratio were obtained with application of 25% RDN through FYM + 75% RDF (T3) as the cost of cultivation of T3 was lesser compared to other treatments.
COVID-19 and Complicated Appendicitis: What is the Relationship?
Authors: Omolabake B. I. , Uko A. F.
Published: August 2021

Aims: The COVID-19 pandemic disrupted healthcare globally and several authors have observed a change in the presentation of acute appendicitis within the period. We have observed an upsurge in the presentation of complicated appendicitis within the first 4 weeks of 2021. We aim to compare our findings with a similar period prior to the COVID-19 pandemic.

Study design: Observational cohort study.

Place and duration of the study: Benue State University Teaching Hospital(BSUTH), Makurdi, Nigeria.

Methodology: We identified all patients that presented with appendicitis in our facility within the first four weeks of 2021 and retrieved their folders to ascertain our observation. We then retrieved the folders of patients who presented with appendicitis a year earlier when the pandemic was inexistent in our country. We compared the data between the two periods.

Results: In the period of the pandemic, we found an increased presentation of acute appendicitis, with most patients presenting as complicated appendicitis. There was an increased length of time between symptom onset and presentation, increase in operating time, postoperative complications, and length of hospital stay in the index period.

Conclusion: We conclude that there is an apparent increase in the presentation of complicated appendicitis with a resultant increase in post-operative complications and morbidity. However, these changes are likely a result of our response to the COVID-19 pandemic rather than the pathology of the SARS CoV-2 virus. We suggest that with the relaxation of movement restrictions and lockdowns in most places, and availability of COVID-19 vaccines, public enlightenment is necessary to encourage an early presentation of acute abdominal conditions with a view to decreasing morbidity.
Maternal Obesity and Its Adverse Effect on Maternal and Fetal Health
Authors: Lutfy Zahraa M. , Dawood Ayman S. , Gergawy Adel E. Al , Mustafa Mustafa Z.
Published: August 2021

Background: The increasing prevalence of obesity worldwide has prompted the World Health Organization (WHO) to designate obesity as one of the most important global health threats. The epidemic is especially pronounced in women of reproductive age. Prepregnancy obesity is an independent risk factor for maternal and neonatal morbidity and mortality. The origin of this epidemic is unhealthy lifestyle – high energy and high-fat diet and physical inactivity. During periconceptual period and pregnancy, the composition of a woman’s diet is of particular importance, as it may influence the pregnancy, the delivery and the health of the mother and the infant later on, so an excessive gestational weight gain (GWG) is not recommended. The aim of our study is to clarify the complications related to excess prepregnancy body weight on maternal and fetal health.

Methods: Hundred obese pregnant women with BMI (30-40 Kg/m2) measured at first trimester were prospectively enrolled into this study. Routine blood pressures, random blood sugar measuring and ultrasonographic follow up are required during pregnancy for early detection of any complications related to maternal obesity and excessive gestational weight gain (GWG).

Results: cases statistically evaluated in these study were 100 pregnant females with mean age 27.34 years + 5 years SD and mean BMI 32.97 Kg/m2 + 2.92 Kg/m2 SD. Denoting in our study, the effect of maternal obesity om maternal and fetal health.

Conclusion: A causal relationship between the prepregnancy BMI and obstetric complications is proven. Weight management is important for every women of reproductive age. Thus, medical Practice must consider these complications by providing early detection and management to improve both maternal and neonatal outcome.
Diagnostic Value of Fetal Thymus Size in Intrauterine Growth Restriction
Authors: Elshishiny Mohamed Mosaad , Elnamoury Mohamed Mohsen , Aldorf Ayman Abd Elaziz , AboZeid Essmat Hamdy
Published: August 2021

Background: Changes in thymus size and histopathology have been observed both in animal models of intrauterine growth restriction (IUGR). The aim of the present study was to evaluate the size of the fetal thymus by sonography in pregnancies with IUGR and to search for a possible relationship between a fetal thymus size and adverse perinatal outcomes.

Methods: This prospective observational study was carried out on 100 participants who were divided into two groups. Group A: Study group which include 50 patients with IUGR. Group B: Control group which Include 50 normal patients with appropriate gestational age. All patients were subjected to: History taking: (Personal, Obstetric History, Maternal Medical History) and trans-abdominal ultrasound.

Results: IUGR group show statistically significant decrease in the estimate of fetal weight (EFW) compared to the control group (P<0.05). Doppler study of umbilical artery shows significant increase of (pulsatility index (PI), resistance index (RI) and systolic/diastolic (S/D) in IUGR group when compared to control group. Doppler study of middle cerebral artery (MCA) shows significant increase in (RI, SD) in IUGR group when compared to control group while PI doesn’t show significant difference between two groups.  Thymus size decrease in IUGR group when compared to the control group. IUGR group had low survival and lower APGR Score when compared to the control group. Correlation between thymus size with the studied doppler parameters and pregnancy outcome in the current study. Umbilical Doppler RI, PI and SD showed statistically significance in this study (P<0.05) and this means that the blood flow in the umbilical arterial (UA) is important for the fetus. As regard the MCA RI and SD Doppler, they show statistically significance in this study (P<0.05) while the MCA PI Doppler did not show any statistically significance in this study (P>0.05).

Conclusions: IUGR is associated with small thymus and small fetal thymus may be an early indicator of adverse perinatal outcomes in pregnancies complicated by IUGR.
Influence of the Socio-Economic Profile of the Head of Household on Domestic Energy Use for Cooking in the City of Uíge, Angola
Authors: Mawunu Monizi , Miguel Arlete E. T. , Bengui Iracelma J. , Mawunu Nsimba F. E. , Landu Masidivinga , Mbemba Mayi , Luswamu Mbumbu , Ngbolua Koto-Te-Nyiwa , Ndiku Luyindula , Luyeye F. Lukoki
Published: August 2021

The city of Uíge, capital of the province of Uíge in northern Angola, presents a diversity of lifestyles, socio-economic levels and domestic energy sources for cooking. The present study aimed to identify the different domestic energy sources used in cooking operations in households in the city of Uíge, both in urban and peri-urban areas, as well as the reasons for their choice. By means of a semi-structured survey, 384 heads of households residing in three neighborhoods of the city of Uíge were interviewed, 96 (Kituma), 192 (Papelão) and 96 (Popular No. 1). The majority of households in the city of Uíge are headed by men (75%), 77% in Papelão; 78% in Popular No. 1; 69% in Kituma. 98% of the men are literate, the majority having attended junior or senior-high school (50%) and higher education (34%). Only 84% of female heads of household are literate, 30% have attended junior-high school and 22% adult education. In addition, the majority (55%) of households in the city of Uíge use Liquefied Petroleum Gas (LPG) for cooking. LPG is the main source of domestic energy for public servants (79%) and traders (66%) in the city of Uíge. Firewood is the main (54%) source of domestic energy used by small farmer households. But, 79% of households headed by university students cook mainly with LPG. In addition, 67% of heads of households with senior-high school and 41% with junior-high school use LPG as their main source of household energy. On the other hand, about 60% of illiterate people use wood as their main source of energy. In contrast, none of the head of households with higher education level use firewood to prepare food. Moreover 68% of the respondents’ grill or roast with charcoal because it gives a better taste to the food and 25% of the respondents do so because of culinary or cultural habits. Charcoal is the main energy source (89%) for grilling and roasting. Households that cook with charcoal and firewood spend US$ 59.63 per month compared to US$ 13.24 for those who use LPG. Making modern commercial energy equipment available to all Angolan households would help low-income and poorly educated households to use the clean, modern energy they crave for cooking. Econometric studies should be conducted to estimate the correlation between household energy consumption and the number of inhabitants per household, for example.
Use of Aerial Roots of Ficus benghalensis for Green Synthesis of Silver Nanoparticles with Enhanced Antibacterial Activity
Authors: Patave Tarannum Rashid , Siddiqui Aquil-Ur Rahim
Published: August 2021

Basically, nanosubstances are developed by a variety of chemical methods which are not environmentally providential.

Aim: The present research work deals with the synthesis of silver nanoparticles using the aerial root of Ficus benghalensis extract. The absolute reduction of silver ions was observed after 48 h of reaction when extact combine with aqueous solution of Silver nitrate. The visual colour changes were observed during the reduction of silver ion into the silver nanoparticles in the reaction mixture allows producing dark brown colour. The formed silver nanoparticles was purified by high speed centrifugation, collected and stored for further characterization.

Methodology: The formation of silver nanoparticles was confirmed by UV-Visible spectroscopy, and characterised by X-Ray Diffraction (XRD) pattern, FTIR, High Resolution Transmission Electron Microscopy (HRTEM), Zeta potentiometry, ICP-AES.

Results: The results showed that UV peak at 437.5 nm, the silver content estimation by ICP-AES was found to be 413.06 µg/mL and images were recorded by using High resolution TEM. Synthesized AgNPs were found to be effective against micro-organisms responsible for bacterial infections like Staphylococcus aureus, Pseudomonas aeruginosa, E. coli and Methicillin resistant Staphylococcus Aureus (MRSA). Further In-vitro cytocompatibility studies showed lack of toxicity at even higher concentration. 

Conclusion: Still, these Silver Nanoparticles are cytotoxic in nature and could serve as a good green method for synthesis of silver nanoparticle by using plant extract.
The Effects of the Brazilian Economic Recession of 2014-2016 on the Default Credit Card and in Private Label Card in the Food Retail
Authors: Vartanian Pedro Raffy , Tamaki Carlos Antonio , Jr. Álvaro Alves de Moura
Published: August 2021

This study explores the effects of the Brazilian recession from 2014 to 2016 on the default of market credit cards and Private Label cards in food retail in a comparative way, through econometric analysis. The research evaluates the credit card default response in the market and, also, Private Label cards, after simulating shocks in macroeconomic variables such as Gross Domestic Product, wages, and unemployment rate, among others, through the application of an autoregressive vector model (VAR model). The data, on a monthly basis, were collected at the Central Bank of Brazil, the Brazilian Institute of Geography and Statistics and at a company in the private label card market. In addition, precedence tests are applied in order to check if there was any causality “in the sense of Granger” on the default of the market credit card and the Private Label card. Among the results found, it was possible to identify that the default rates of the credit card in the market and of the Private Label have different behaviors, from the simulations of the impulse response functions to the identification of the variables that precede them, being that the default of the Private Label card preceded a higher number of variables when compared to the default of credit cards in the market.
Passivation of the Buried Interface via Preferential Crystallization of 2D Perovskite on Metal Oxide Transport Layers
Authors: Chen Bin , Chen Hao , Hou Yi , Xu Jian , Teale Sam , Bertens Koen , Chen Haijie , Proppe Andrew , Zhou Qilin , Yu Danni , Xu Kaimin , Vafaie Maral , Liu Yuan , Dong Yitong , Jung Eui Hyuk , Zheng Chao , Zhu Tong , Ning Zhijun , Sargent Edward H.
Published: August 2021

The open‐circuit voltage (Voc) of perovskite solar cells is limited by non‐radiative recombination at perovskite/carrier transport layer (CTL) interfaces. 2D perovskite post‐treatments offer a means to passivate the top interface; whereas, accessing and passivating the buried interface underneath the perovskite film requires new material synthesis strategies. It is posited that perovskite ink containing species that bind strongly to substrates can spontaneously form a passivating layer with the bottom CTL. The concept using organic spacer cations with rich NH2 groups is implemented, where readily available hydrogens have large binding affinity to under‐coordinated oxygens on the metal oxide substrate surface, inducing preferential crystallization of a thin 2D layer at the buried interface. The passivation effect of this 2D layer is examined using steady‐state and time‐resolved photoluminescence spectroscopy: the 2D interlayer suppresses non‐radiative recombination at the buried perovskite/CTL interface, leading to a 72% reduction in surface recombination velocity. This strategy enables a 65 mV increase in Voc for NiOx based p–i–n devices, and a 100 mV increase in Voc for SnO2‐based n–i–p devices. Inverted solar cells with 20.1% power conversion efficiency (PCE) for 1.70 eV and 22.9% PCE for 1.55 eV bandgap perovskites are demonstrated.
Synthesis of Nonaromatic Macromolecular Luminogens, DFT Studies on Photophysics, and O‐Donor Selective On−Off Sensors: Contributions of In Situ N‐(Methylol)Acrylamido Comonomers
Authors: Dutta Arnab , Mahapatra Manas , Sanfui MD Hussain , Ghosh Narendra Nath , Chattopadhyay Pijush Kanti , Singha Nayan Ranjan
Published: August 2021

The development of intrinsically luminescent multifunctional macromolecules and understanding their fluorescence characteristics are highly desirable to broaden further the scope of nontraditional macromolecular luminogens. Here, two nontraditional macromolecular luminogens, such as 2‐(methacryloyloxy)ethanol‐co‐2‐hydroxyethyl 3‐(N‐(methylol)acrylamido)‐2‐methylpropanoate‐co‐N‐(methylol)‐2‐propenamide (MAE‐co‐HENMAMMP‐co‐NMPA, ML1) and 2‐methylenesuccinic acid‐co‐2‐((N‐(methylol)acrylamido)methyl)succinic acid‐co‐N‐(methylol)‐2‐propenamide (MSA‐co‐NMAMMSA‐co‐NMPA, ML2) are synthesized via in situ inclusions of N‐(methylol)acrylamido‐ester and N‐(methylol)acrylamido‐acid comonomers by the polymerization of two synthetic monomers. These luminogens are suitable for sensing alongside exclusion of paramagnetic ions, i.e., Cu(II) and Fe(III). The structures of ML1 and ML2, in situ protruded HENMAMMP/NMAMMSA, and aggregation‐enhanced emissions (AEEs) are explored thoroughly. The through‐space electronic interactions from n/π of HENMAMMP + NMPA and NMAMMSA + MSA fragments to π* of HENMAMMP + MAE and NMAMMSA in ML1 and ML2, respectively, and hydrogen bonding among >CON− of HENMAMMP and −CONH− of NMPA in ML1 and −COOH/−COOH of MSA and −COOH/−CH2OH of NMAMMSA in ML2 collectively form clusteroluminogens, comprehended by reduced density gradient (RDG) calculations. The O‐donor selective coordinative interactions of paramagnetic Cu(II) and Fe(III) and substantial adsorption from aqueous solutions (concentrated) are analyzed through X‐ray photoelectron spectroscopy (XPS) spectra and density functional theory (DFT) studies of ML1/ML2 and Cu(II)‐ML1/Fe(III)‐ML2.
Integrating the retirement income system and aged care funding in Australia: An Aged Care Levy as a social insurance option
Authors: Howe Anna L. , Spies‐Butcher Ben
Published: August 2021

Retirement incomes and aged care have both received considerable policy attention in Australia over the last three decades, but as in other countries, the two financing systems have remained largely separate in policy and practice. The problem is located at the intersection of wider policy debates about shifts from public to private welfare and concerns over intergenerational equity. This paper aims to integrate these related debates by incorporating aged care into the “pillars” framework used to understand retirement incomes. We propose an Aged Care Superannuation Levy applied to superannuation fund earnings, winding back the large and growing public tax concessions that support this pillar of private defined contribution pensions in Australia’s retirement income system. This revenue would create a social insurance pillar for aged care to stand alongside the four other pillars of retirement incomes that interact variously with aged care financing. Interest in a social insurance pillar of aged care financing is renewed in the light of the Royal Commission into quality and safety of aged care that reported in February 2021. As the Royal Commission recommendations on financing were divided and not taken up in government policy, the way remains opens for further consideration of the alternative approach proposed here.
Insights into the Ionic Conduction Mechanism of Quasi‐Solid Polymer Electrolytes through Multispectral Characterization
Authors: He Xin , Ni Youxuan , Hou Yunpeng , Lu Yong , Jin Song , Li Haixia , Yan Zhenhua , Zhang Kai , Chen Jun
Published: August 2021

Quasi‐solid polymer electrolytes (QPE) composed of Li salts, polymer matrix, and solvent, are beneficial for improving the security and energy density of batteries. However, the ionic conduction mechanism, existential form of solvent molecules, and interactions between different components of QPE remain unclear. Here we develop a multispectral characterization strategy combined with first‐principles calculations to unravel aforesaid mysteries. The results indicate that the existential state of solvent in QPE is quite different from that in liquid electrolyte. The Li cations in gel polymer electrolyte are fully solvated by partial solvent molecules to form a local high concentration of Li+, while the other solvent molecules are fastened by polymer matrix in QPE. As a result, the solvation structure and conduction mechanism of Li+ are similar to those in high‐concentrated liquid electrolyte. This work provides a new insight into the ionic conduction mechanism of QPE and will promote its application for safe and high‐energy batteries.
Palladium Nanoparticles for the Deuteration and Tritiation of Benzylic Positions on Complex Molecules
Authors: Pfeifer Viktor , Zeltner Thomas , Fackler Christian , Kraemer Anja , Thoma Julian , Zeller Albert , Kiesling Ralf
Published: August 2021

Palladium nanoparticles (PdNp) were revealed as an efficient hydrogen isotope exchange catalyst for the deuterium and tritium labeling of benzylic positions of complex molecules. A practical way to obtain small palladium nanoparticles and to apply them as a catalyst for hydrogen isotope exchange (HIE) is presented. Several model compounds and popular bioactive molecules were submitted to HIE reactions catalyzed by the PdNp. Benzylic positions situated far away from heteroatoms were labeled with high isotopic enrichments. The observed non‐directed HIE gave rise to regioselectivities complementary to those obtained with other methods, which typically require specific directing groups. For this reason, the successful deuteration of a broad variety of benzylic positions created a helpful tool to produce internal LC‐MS standards of complex drugs. Furthermore, this nanocatalyst paved the way for the radiolabeling of drug molecules with high specific activities by using low pressures of tritium gas.
Highly Efficient Spin‐Filtering Transport in Chiral Hybrid Copper Halides
Authors: Lu Ying , Wang Qian , He Ruilin , Zhou Foxin , Yang Xia , Wang Dong , Cao Hui , He Wanli , Pan Feng , Yang Zhou , Song Cheng
Published: August 2021

Chiral Pb(Sn)‐I hybrid organic–inorganic perovskites exhibit outstanding chiral‐induced spin selectivity (CISS) performance, but the nontoxic lead‐free hybrid materials with high stability are still greatly desired for spin filtering in spintronic applications. We synthesize chiral hybrid copper halides (R/S‐MBA)2CuX4 (MBA=methylbenzylammonium; X=Cl, Br) with characteristic 0D CuX4 tetrahedral structural motifs, combining the low toxicity of Cu2+ and air stability of halide ions (Cl− and Br−). Despite similar structural and electronic features, (R/S‐MBA)2CuBr4 shows much smaller chiroptical activity than the chloride counterpart. Magnetically conductive atomic force microscopy measurements display a typical spin‐polarized charge‐transport property with high efficiency up to 90 % for both copper halides. Our work expands the CISS effect into eco‐friendly and stable metal–organic halides, which is promising for applications in spintronics based on transition‐metal hybrid systems.
Enantioselective Lactonization by π‐Acid‐Catalyzed Allylic Substitution: A Complement to π‐Allylmetal Chemistry
Authors: Kizhakkayil Mangadan Arun Raj , Liu Ji , Aponick Aaron
Published: August 2021

Asymmetric allylic alkylation (AAA) is a powerful method for the formation of highly useful, non‐racemic allylic compounds. Here we present a complementary enantioselective process that generates allylic lactones via π‐acid catalysis. More specifically, a catalytic enantioselective dehydrative lactonization of allylic alcohols using a novel PdII‐catalyst containing the imidazole‐basedP,N‐ligand (S)‐StackPhos is reported. The high‐yielding reactions are operationally simple to perform with enantioselectivities up to 99 %ee. This strategy facilitates the replacement of a poor leaving group with what would ostensibly be a better leaving group in the product avoiding complications arising from racemization by equilibration.
A Copper(I) Complex with Two Unpaired Electrons, Synthesised by Oxidation of a Copper(II) Complex with Two Redox‐Active Ligands
Authors: Werr Marco , Kaifer Elisabeth , Enders Markus , Asyuda Andika , Zharnikov Michael , Himmel Hans‐Jörg
Published: August 2021

Two homoleptic copper(II) complexes [Cu(L1)2] and [Cu(L2)2] with anionic redox‐active ligands were synthesised, one with urea azine (L1) and the other with thio‐urea azine (L2) ligands. One‐electron oxidation of the complexes initiates an unprecedented redox‐induced electron transfer process, leading to monocationic copper(I) complexes [Cu(L1)2]+ and [Cu(L2)2]+ with two oxidised ligands. While [Cu(L1)2]+ is best described as a CuI complex with two neutral radical ligands that couple antiferromagnetically, [Cu(L2)2]+ is a CuI complex with two clearly different ligand units in the solid state and with a magnetic susceptibility close to a diamagnetic compound. Further one‐electron oxidation of the complex with L1 ligands results in a dication [Cu(L1)2]2+, best described as a CuI complex with a twofold oxidised, monocationic ligand and a neutral radical ligand. The stability in at least three redox states, the accumulation of spin density at the ligands and the facile ligand‐metal electron transfer make these complexes highly attractive for a variety of applications; here the catalytic aerobic oxidation of alcohols to aldehydes is tested.
O‐to‐S Substitution Enables Dovetailing Conflicting Cyclizability, Polymerizability, and Recyclability: Dithiolactone vs. Dilactone
Authors: Wang Yanchao , Li Maosheng , Chen Jinlong , Tao Youhua , Wang Xianhong
Published: August 2021

Developing chemically recyclable polymers represents a greener alternative to landfill and incineration and offers a closed‐loop strategy toward a circular materials economy. However, the synthesis of chemically recyclable polymers is still plagued with certain fundamental limitations, including trade‐offs between the monomer's cyclizability and polymerizability, as well as between polymer's depolymerizability and properties. Here we describe the subtle O‐to‐S substitution, dithiolactone monomers derived from abundant feedstock α‐amino acids can demonstrate appealing chemical properties different from those of dilactone, including accelerated ring closure, augmented kinetics polymerizability, high depolymerizability and selectivity, and thus constitute a unique class of polythioester materials exhibiting controlled molecular weight (up to 100.5 kDa), atactic yet high crystallinity, structurally diversity, and chemical recyclability. These polythioesters well addresses the formidable challenges of developing chemically recyclable polymers by having an unusual set of desired properties, including easy‐to‐make monomer from ubiquitous feedstock, and high polymerizability, crystallinity and precise tunability of physicochemical performance, as well as high depolymerizability and selectivity. Computational studies explain why O‐to‐S modification of polymer backbone enables dovetailing desirable, but conflicting, performance into one polymer structure.
Asymmetric Total Synthesis of Shagenes A and B
Authors: Tsukano Chihiro , Yagita Ryotaro , Heike Takayoshi , Mohammed Tagwa A. , Nishibayashi Kazuya , Irie Kazuhiro , Takemoto Yoshiji
Published: August 2021

We report the first total synthesis of shagenes A and B, which are tricyclic terpenoids containing a cis‐substituted cyclopropane, via ring‐closing metathesis of an enamide and Ir‐catalyzed double‐bond isomerization of an alkylidenecyclopropane. Chemo‐ and diastereoselectivity in the distorted cis‐substituted structures were controlled by the alkylidenecyclopropane reactivity and using the ketone functionality as a remote directing group for the Ir catalyst, respectively. The total synthesis suggested the absolute configuration of shagenes.
Effective Heterogeneous Oxidative Desulfurization Catalyzed by H3PMo9W3O40@rht‐MOF‐1
Authors: Xin Yuxiang , Bai Yiyang , Liu Jiabin , Ma Liqiang , Li Guangming
Published: August 2021

With the increasingly strict standard for sulfur content in fuel, it is necessary to develop high‐efficiency catalyst for extractive and catalytic oxidative desulfurization systems (ECODS). Herein, a series of three remarkable complexes H3PMo(12‐n)WnO40@rht‐MOF‐1 (1 a, n=1; 2 a, n=2; 3 a, n=3) have been designed and prepared. Complexes 1 a, 2 a and 3 a were characterized by single‐crystal X‐ray diffraction and FT‐IR, PXRD, SEM, N2 adsorption‐desorption isotherms, etc. Upon complex 3 a was applied as catalyst, it exhibited remarkably high catalytic activity in the ECODS reactions of aromatic sulfur compounds under optimal conditions. On the basis of its excellent heterogeneity, the catalyst could be recycled for nine consecutive cycles without significant losing of activity centers. Then, the reaction kinetics and mechanism were investigated and the activation energy have been calculated and discussed. Further, the complex 3 a is employed to catalyze the ODS of commercial diesel oil. As a result, the desulfurization efficiency reached 90%. These results provided important structure data for study the structure‐property relationship and potential heterogeneous catalyst applied in ODS in industry.
Hochhausgründungen in Berlin – Erfahrungen in eiszeitlich vorbelasteten Böden
Authors: Mittag Jens , Richter Thomas , Kirsch Fabian
Published: August 2021

Die städtische Verdichtung führt dazu, dass auch Projekte mit sehr hohen Gründungslasten geplant und umgesetzt werden. Der hierfür relevante Baugrund des Norddeutschen Tieflands ist durch diverse Vereisungen des Pleistozän geprägt, die sich in unterschiedlichen Erscheinungsformen von Tälern, Seebildungen, Flüssen und Hügellandschaften zeigen. Im Hinblick auf die mechanischen Eigenschaften des Baugrunds reicht es bei anspruchsvolleren Bauvorhaben nicht aus, eine Einteilung der Böden lediglich hinsichtlich der Lagerungsdichte oder der Konsistenz vorzunehmen. Zum besseren Verständnis und zur wirtschaftlichen Nutzung des Baugrunds muss vielmehr eine möglichst genaue Kenntnis der Belastungsgeschichte und ihres Einflusses auf die Steifigkeit und die Tragfähigkeit der Böden erlangt werden. Zahlreiche Berliner Projektbeispiele haben gezeigt, dass es für die Planung entscheidend ist, welche Beanspruchungen diese Böden seit ihrer Bildung erfahren haben. Prägend sind dabei einerseits die verschiedenen Eisvorstöße der pleistozänen Kaltzeiten mit ihren zwischengeschalteten Warmzeiten und andererseits zivilisationsbedingte Vorbelastungen z. B. aus Altbebauungen oder Grundwasserabsenkungen. Neben den bodenmechanischen Zusammenhängen werden praktische Beispiele hoch belasteter Gebäudegründungen vorgestellt und auch gezeigt, dass eine Tiefgründung nicht in allen Fällen notwendig ist und eine flächenhafte Gründung durchaus die bessere und wirtschaftlichere Lösung sein kann.
Improved extraction and purification of the hydrophobin HFBI
Authors: Vereman Jeroen , Thysens Tim , Van Impe Jan , Derdelinckx Guy , Van de Voorde Ilse
Published: August 2021

Hydrophobins (HFBs) are a group of highly functional, low molecular weight proteins with the ability to self‐assemble at hydrophobic‐hydrophilic interfaces. The surface active, cysteine‐rich proteins are found in filamentous fungi such as Trichoderma reesei. In the present study multiple extraction solvents and conditions were screened for the mycelium bound hydrophobin HFBI and the effects on the total amount of extracted proteins, HFBI recovery and HFBI gushing activity were investigated to gain a more thorough scientific insight on the extraction efficiency and selectivity. Results indicated the enhanced selectivity for HFBI extraction from the fungal biomass using 60% ethanol compared to solutions containing 1% sodium dodecyl sulphate (SDS). Complementing the higher selectivity, HFBI recovery was increased from 6.9 ± 0.6 mg HFBI (1% SDS) to 9.4 ± 0.4 mg HFBI per gram dry fungal biomass for extracts containing 60% ethanol. Furthermore, subsequent to HPLC purification, Cold Induced Phase Separation (CIPS) of acetonitrile‐water systems was investigated at different pH levels. CIPS at pH 2.0 was found to effectively remove the majority of sorbicillinoid pigments from the purified HFBI fraction. The improved method resulted in a recovery of 85.4% of the extracted HFBI after final purification.
Prediction of life satisfaction from resting‐state functional connectome
Authors: Itahashi Takashi , Kosibaty Neda , Hashimoto Ryu‐Ichiro , Aoki Yuta Y.
Published: August 2021

Background

Better life satisfaction (LS) is associated with better psychological and psychiatric outcomes. To the best of our knowledge, no studies have examined prediction models for LS.

Methods

Using resting‐state functional magnetic resonance imaging (R‐fMRI) data from the Human Connectome Project (HCP) Young Adult S1200 dataset, we examined whether LS is predictable from intrinsic functional connectivity (iFC). All the HCP data were subdivided into either discovery (n = 100) or validation (n = 766) datasets. Using R‐fMRI data in the discovery dataset, we computed a matrix of iFCs between brain regions. Ridge regression, in combination with principal component analysis and 10‐fold cross‐validation, was used to predict LS. Prediction performance was evaluated by comparing actual and predicted LS scores. The generalizability of the prediction model obtained from the discovery dataset was evaluated by applying this model to the validation dataset.

Results

The model was able to successfully predict LS in the discovery dataset (r = 0.381, p < .001). The model was also able to successfully predict the degree of LS (r = 0.137, 5000‐repetition permutation test p = .006) in the validation dataset, suggesting that our model is generalizable to the prediction of LS in young adults. iFCs stemming from visual, ventral attention, or limbic networks to other networks (such as the dorsal attention network and default mode network) were likely to contribute positively toward predicted LS scores. iFCs within ventral attention and limbic networks also positively contributed to predicting LS. On the other hand, iFCs stemming from the visual and cerebellar networks to other networks were likely to contribute negatively to the predicted LS scores.

Conclusion

The present findings suggest that LS is predictable from the iFCs. These results are an important step toward identifying the neural basis of life satisfaction.
Diazophosphonates: Effective Surrogates for Diazoalkanes in Pyrazole Synthesis
Authors: Ruffell Katie , Smith Frances R. , Green Michael T. , Nicolle Simon M. , Inman Martyn , Lewis William , Hayes Christopher J. , Moody Christopher J.
Published: August 2021

Diazophosphonates, readily prepared from α‐ketophosphonates by oxidation of the corresponding hydrazones in batch or in flow, are useful partners in 1,3‐dipolar cycloaddition reactions to alkynes to give N‐H pyrazoles, including the first intramolecular examples of such a process. The phosphoryl group imbues a number of desirable properties into the diazo 1,3‐dipole. The electron‐withdrawing nature of the phosphoryl stabilizes the diazo compound making it easier to handle, whilst the ability of the phosphoryl group to migrate readily in a [1,5]‐sigmatropic rearrangement enables its transfer from C to N to aromatize the initial cycloadduct, and hence its facile removal from the final pyrazole product. Overall, the diazophosphonate acts as a surrogate for the much less stable diazoalkane in cycloadditions, with the phosphoryl group playing a vital, but traceless, role. The cycloaddition proceeds more readily with alkynes bearing electron‐withdrawing groups, and is regiospecific with asymmetrical alkynes. The potential of diazophosphonates for use in bioorthogonal cycloadditions is demonstrated by their facile addition to strained alkynes.
Supported CuII Single‐Ion Catalyst for Total Carbon Utilization of C2 and C3 Biomass‐Based Platform Molecules in the N‐Formylation of Amines
Authors: Dai Xingchao , Wang Xinzhi , Rabeah Jabor , Kreyenschulte Carsten , Brückner Angelika , Shi Feng
Published: August 2021

The shift from fossil carbon sources to renewable ones is vital for developing sustainable chemical processes to produce valuable chemicals. In this work, value‐added formamides were synthesized in good yields by the reaction of amines with C2 and C3 biomass‐based platform molecules such as glycolic acid, 1,3‐dihydroxyacetone and glyceraldehyde. These feedstocks were selectively converted by catalysts based on Cu‐containing zeolite 5A through the in situ formation of carbonyl‐containing intermediates. To the best of our knowledge, this is the first example in which all the carbon atoms in biomass‐based feedstocks could be amidated to produce formamide. Combined catalyst characterization results revealed preferably single CuII sites on the surface of Cu/5A, some of which form small clusters, but without direct linking via oxygen bridges. By combining the results of electron paramagnetic resonance (EPR) spin‐trapping, operando attenuated total reflection (ATR) IR spectroscopy and control experiments, it was found that the formation of formamides might involve a HCOOH‐like intermediate and .NHPh radicals, in which the selective formation of .OOH radicals might play a key role.
Oxidatively Induced Selective Carbon‐Carbon Bond Formation From Isolated Rhodium(III) Complexes
Authors: Shi Ruoyi , Tan Jiantao , Wang Zhifan , Wang Yuanhua
Published: August 2021

This work focuses on oxidatively induced regioselective intramolecular C−C bond formations based on the RhIII complexes synthesized from dirhodium(II) trifluoroacetate with 2‐arylpyridines. With the selection of electron‐donating groups on the arene rings of 2‐arylpyridines, the unusual meta‐ortho C−C bond‐forming was favored, which led to the formation of meta‐substituted 2‐arylpyridine homocoupling dimers. On the contrary, the electron‐withdrawing groups have tendency to occur conventional ortho‐ortho bond‐forming, resulting in the formation of new RhIII complexes possessing the intriguing RhIII(TFA)3 fragment. Preliminary mechanistic experiments suggest that the sequential oxidation of RhIII occurred in the reaction.
Predictive estimation of low density parity check decoded data based on error pattern modelling in wireless body area networks
Authors: Anwar Arifa , Duraisamy Sridharan
Published: August 2021

Wireless body area networks (WBANs) dynamically track a person's health data wirelessly. The implant‐to‐implant communication (CM1) inside the human body requires low power, highly reliable channels amidst the high losses and attenuation due to the various portions of the body. This attenuation and noise results in complete variation of the monitored health data, resulting in faulty medical diagnosis and alarms. Low density parity check (LDPC) algorithms are popular for error correction in this scenario. However, they still need to be improved for a more reasonable analysis of the health status. We suggest processing of the sensed data to increase the sparsity, thereby improving the bit error probability performance of the LDPC coding technique. Further, we propose the use of Kalman filter to estimate the actually transmitted bit from the LDPC decoded message output. The simulation results show that the proposed technique improve the error correction capability of the LDPC code. The increased energy, time and computations required for the same is found to be within a satisfactory level for the proper functioning of the WBANs.
Evaluation of the adequacy of a spring‐mass model in analyses of liquid sloshing in anchored storage tanks
Authors: Hernandez‐Hernandez Diego , Larkin Tam , Chouw Nawawi
Published: August 2021

This research addresses the influence of the load characteristics, that is, frequency content and maximum acceleration, on the wall stresses of an anchored water storage tank. A low‐density polyethylene tank with a range of six different aspect ratios (water height to tank radius) was tested using a shake table. Eight sine excitations that cover the lowest free vibration frequency of the tank‐water system were applied. Additionally, two sets of five Ricker wavelet excitations were utilized. Each set represents potential earthquakes with a bandwidth between a low and a high dominant frequency. The experimentally determined maximum stresses and those obtained from calculations using a common spring‐mass model employed for seismic analysis of tanks were compared. The results reveal that the relationship between the excitation frequency and the wall stresses strongly depends on the sloshing behavior, especially when the frequency of loading is in the vicinity of the lowest free–vibration frequency of the tank–water system. When the frequencies are dissimilar, there is a proportional relationship between stress and the maximum acceleration of the excitation. The spring‐mass model was found to underestimate both the maximum hoop stress (for aspect ratios greater than two) and axial stress (for aspect ratios equal to 0.5). This occurs because is the spring‐mass model cannot capture, in all cases, the contribution of chaotic sloshing to wall stress.
The effect of awarding disability benefits on opioid consumption
Authors: Barbos Andrei , Sun Minglu
Published: August 2021

Strong empirical evidence points towards a significantly higher prevalence of opioid consumption among people receiving disability benefits (DB) than in the general population of the United States. However, no previous research established a causal relationship between the decision to award DB to applicants and their subsequent opioid use. We aim to contribute towards filling this gap. There are channels through which awarding DB may both increase and depress opioid consumption, and thus, ex ante, the sign of a potential causal relationship is ambiguous. To correct for the treatment endogeneity, since an individual's age at the time of the decision on an application impacts discontinuously at certain age cutoffs the award decision, we employ a fuzzy Regression Discontinuity model with three age cutoffs used for identification. We find that awarding DB increases the likelihood of using opioids by about 27–30 percentage points. This suggests that the positive association between DB receipt and opioid consumption is likely to be causal.