bluuebunny/crossref_metadata_2025 huggingface dataset:
Marketing activities and sales of Macedonian wineries in a condition of pandemic Covid-19
Authors: Ristevka-Jovanovska Snežana , Dimovska Ana
Published: May 2021

Covid-19 has implications on the overall operation of Macedonian wineries and directly affected the decline in domestic sales and export to international markets. The HORECA sector stopped working completely or partially in all countries. The crisis affected the partial or total cuts of marketing costs, by postponing or cancelling planned projects. The wineries failed to sell the planned quantities and were forced to make significantly lower purchases for the 2020 harvest than in previous years. The paper presents a large number of data received from the Association Wines of Macedonia, Customs Office of the Republic of North Macedonia, Ministry of Agriculture, Forestry and Water Economy of the Republic of North Macedonia, State Inspectorate for Agriculture, Internet articles containing topics relevant to the research. The additional data presented were collected from Macedonian wineries through a questionnaire on operations during the corona crisis. This paper provides an overview of the problems faced by Macedonian wineries during the corona crisis in terms of marketing and sales, primarily in international markets and analyzes the declined average price and reduced investment in marketing.
Research on the importance of performance of business excellence of hotel companies in the time of globalization and regionalization
Authors: Dedić Samira , Nuhanović Amra , Đulić Jasenka
Published: May 2021

The focal point of the research in this paper is based on examining and evaluating the role and importance of performance of business excellence in the hotel industry in the time of globalization and regionalization. The research conducted in this paper included the views of hotel managers related to each performance of business excellence in Bosnia and Herzegovina. The situation with the application of the concept of business excellence in the practice of hotel companies in B&H is not particularly favourable, since this issue has not been addressed at all. Although we can see progress in improving the quality of service provision in B&H hotels, the concept of business excellence has not been sufficiently researched, and therefore not represented in the field of hotel business. Taking into account the previous, the authors came to the conclusion that everything points to the need for adoption and business according to the concept of business excellence, and that its application is necessary to ensure good business results, and thus achieve competitive advantage of each hotel company. Within the elaboration of the theoretical starting points of the observed problem, the methods of analysis and synthesis, i.e. induction and deduction, were used, with the necessity of using a systematic approach in the research. In the empirical part of the research, statistical methods of univariate analysis (descriptive statistical analysis), bivariate analysis and multivariate analysis were used. The collected data were processed with the help of SPSS Statistics 20.0.
Does the oligopolistic position of banks affect the performance of the banking sector in the Federation of Bosnia and Herzegovina?
Authors: Alihodžić Almir
Published: May 2021

The level of banking concentration has increased significantly in the banking sector of Bosnia and Herzegovina as a result of the successful completion of privatization, the formation of new banks, the slow transition and rapid liberalization. Rapid liberalization has introduced strong competition in the domestic banking sector on the one hand, while there has been an increased concentration of some larger banks in the system. The main goal of this research will be to analyze the correlation between the basic measures of the oligopolistic position of banks and their impact on improving or deteriorating the performance of domestic banks, such as return on assets (ROA), return on equity (ROE) and net interest margin (NIM). The survey period covers the years from 2008: Q1 to 2020: Q4 on a quarterly basis. The following variables were used as independent variables in the model: HHI market concentration index in the context of loans, share of foreign banks in the total ownership structure of banks (FB), bank size (BS) and growth rate of total loans (GRTL).The interdependence of variables in this study was tested via the OLS regression model. The results showed that the foreign-owned Banks (FB) variable has a positive impact on the variable return on Assets (ROA), while the variables bank size (BS) and market concentration index for loans (HHI) have a negative impact. The result also showed that the two variables the growth rate of total loans (GRTL) as well as foreign-owned banks (FB) have a positive impact on the variable return on equity (ROE), while the variables market concentration index for loans (HHI) and bank size (BS) have a negative effect. The third result is that the variable net interest margin (NIM) has the strongest positive impact on the two variables foreign-owned banks (FB) and credit growth rate (GRTL), while concentrations for credit placements (HHI) and bank size (BS) have a negative effect.
Social skills inventory in health care workers in the city of Loznica
Authors: Lazarević Marija
Published: May 2021

Introduction: Social skills inventory is a measure used to evaluate two dimensions of communicational skills: emotional (non-verbal), and social (verbal). Each dimension evaluates three categories: expressiveness, sensibility, and control. Objective: We wanted to find out if there was a statistically significant difference in social skills, in health workers, in the city of Loznica. We hypothesized there weren't any differences in social skills inventories of men and women working in primary and secondary healthcare levels. Method: The participants were given the SSI (Social skills inventory) questionnaire. It contained 90 questions, divided into 6 categories. The total number of the participants (employees of the primary and secondary health care institutions in the city of Loznica) was 76, of whom 51 were women and 25 men, and their age ranged from 25 to 65. A university level of education had 47 participants, 4 had a college degree, and 25 had a high school degree. The inferential statistics (t-test) was used for data analysis. Results: After data analysis, based on statistical data handling (t-test of independent categories for singular samples) we got a p<0.05 for expressiveness, and it was more prominent in male participants and behavioral control in female participants. The p-value for the total score for social skills was p>0.05, which bore no statistical significance. There was no statistically significant difference in the total score of the inventory of social skills between male and female health care workers. Though, there was a statistically significant gender difference in expressiveness, in favor of men, and social control, in favor of women. Conclusion: The total score, after testing the inventory of social skills of health workers in Loznica, showed there was no statistically significant difference between men and women, but the level of expressiveness and behavioral control showed a statistically significant difference.
Hull Form Optimization of Performance Characteristics of Turkish Gulets for Charter
Authors: Gammon Mark , Kukner Abdi , Alkan Ahmet
Published: May 2021

Turkish Gulets are motor-sailors that are still being built using wooden boatbuilding traditional construction in the Aegean and Mediterranean as well as being built using steel and cold moulded techniques. They are typical of the craft used for skippered charter tours in the region and exhibit good seakeeping in the shorter steep sea of the Mediterranean and also for manoeuvring in port and in anchorages. Usually this performance is at the cost of resistance. Sailing performance and stability are surprisingly not considered due to the large beams. The hull forms of two typical gulets are used to examine the stability, resistance and coupled heave and pitch. A multi-objective evolutionary optimization methodology is used to investigate the performance of the three objectives. The evaluation of resistance uses a transom modified Michell theory in keeping with the smaller L/B ratios and large transoms of many of these vessel types. Seakeeping is evaluated using a strip motion program and the stability curve is used to provide a stability index. The multi-objective analysis is based on the optimization capabilities of genetic algorithms. Evolutionary algorithms are stochastic in nature and follow the Darwinian principle of survival of the fittest. From a given population of hull candidates, those hulls that are “fitter” by having better resistance, seakeeping and stability are selected to generate a new population. Over the course of many generations, the hulls are optimized to provide better performance. Each of the objectives requires an index to measure the performance of the candidate.
VALIDATION OF SCREENING MODEL OF BREAST CANCER: A REVIEW
Authors: Sengar Ruchi , Tripathi Ankita , Mishra Ratnesh , Gautam Harjeet , Sharif Farheen , Mehta Bhawna
Published: May 2021

Globally, Breast Cancer is mostly detecting in women’s due to family history, obesity, irregular menstruation, intake of alcohol/tobacco, etc. When uncontrollable grow of cells in breast which turns into cancer, occur at lobules or duct of breast. Various indications are seen like – appearance of lumps, swelling, size & color of breast is change, unusual discharge, etc. Breast cancer can be diagnosis by oneself by doing some physical activity and by advance modern technology can help to detect the cancerous cells. Mammography and Sonography is the initial diagnosing method to detect the cancer cells without any incision or inserting tools into the breast. Doctors or trained healthcare observe the tumor i.e. it’s benign or malignant after that screening model is use to confirmation of the tumor.
PREPARATION AND EVALUATION OF PANCHA HARITHAKADI CHURNA FOR DIGESTIVE ACTIVITY
Authors: Sarala S. , Chamundeeswari D. , Gopal V.
Published: May 2021

Pancha Harithakadi Churna (PHC) is a traditional polyherbal formulation meant for digestion which consists of household ingredients having digestive property. PHC is mainly used for Constipation and Bloating. Churna’s will play an important role in gastro intestinal problems. Churna’s are having greater bioavailability because of smaller particle size. It consists of fine powder (sieve 100 size) of Ginger rhizomes, Fennel fruits, Myrobalan fruits, Senna leaflets and Pink Rock salt in equal proportions (1:1:1:1:1) are mixed well. PHC is formulated by standard procedures and evaluated by physical and analytical methods. Physicochemical standards and heavy metals are found to be within the limits. PHC is found to be free from microbes. The PHC showed pronounced amylolytic activity and moderate lipolytic and proteolytic activity when compared with standard showing its efficacy for treating indigestion. In future we will carry out other digestive enzymes in vitro studies and also to carry out in vivo digestive studies.
FORMULATION AND EVALUATION OF HERBAL HAND SANITIZER USING ARGEMONE MEXICANA AND CALENDULA OFFICINALIS PLANT EXTRACT
Authors: Gidde Nikita D. , Desai Priyanka V. , Bagade Priyanka V. , Shinde Seema U. , Nitalikar Manojkumar M.
Published: May 2021

The main objective of developing a herbal hand sanitizer would be to promote "hand hygiene." It is a key element in the detection, control, and elimination of any acquired infection. Hand sanitizer will break the chain of microorganisms and other bacteria spreading from the hands to other areas of our bodies. Hand hygiene is essential and among the most common important steps in food processing, food service, and in the preparation of homes and other day care facilities. Hand sanitizer prevents itching, scratching, dermatitis, and other unpleasant side effects. So, maintaining hand hygiene as the key approach, an attempt to formulate an herbal hand sanitizer using extracts from widely available plants such as Argemone mexicana and Calendula officinalis, instead of a synthetic formulation. Physical parameters of the formulation were assessed. These ingredients, in combination, have seemed to act as an effective hand sanitizer.
FORMULATION DEVELOPMENT AND EVALUATION OF NANO-STRUCTURED LIPID CARRIERS ENCAPSULATED TOLNAFTATE EMULGEL
Authors: . Alpana , Khatak Sunil
Published: May 2021

This research work aimed to “Formulation of tolnaftate (TNF) loaded NLCs emulgel using hot homogenization method followed by ultrasonication method for topical application. The various parameters such as concentration of solid lipid (GMS), liquid lipid (Gelucire 44/14), and the concentration of gelling agent (Carbopol 940) were studied for particle size, zeta potential, %EE, and Viscosity of emulgel. The optimized formulation (F6) was found to be spherical in shape with a mean particle size of 104.8±44.30nm and zeta potential -33.0mV. The maximum % entrapment of tolnaftate in the optimized formulation was found to be 98.23±0.963. The in vitro drug release study demonstrated that the release of the drug from TNF-NLCs emulgel was shown in comparison to marketed formulation (KT5DERM) and pure TNF. Overall, the developed TNF-NLCs emulgel was considered as a potential anti-fungal nano-drug, providing a new direction to the fungal infection treatment.
Adaptive stabilization of state‐constrained uncertain nonholonomic system via dynamic surface control
Authors: Zhang Zhongcai , Zhang Shengmiao
Published: May 2021

In this presented work, a systematic adaptive stabilization control strategy is proposed for nonholonomic system with parametric uncertainties and full‐state constraints. To facilitate the handling of state constraints, the original constrained nonholonomic system is converted into a new unconstrained system by state‐dependent function transformations including discontinuous state scalings. The adaptive control algorithm is elaborated by cleverly combing the tuning function design approach with switching control strategy. In stability analysis, it is shown that the designed stabilization control method can realize the desired stabilization control aims and full‐state constraints. Simulation is carried out to demonstrate the effectiveness of the control scheme.
Hydrogen Gas Sensors Using Palladium Nanogaps on an Elastomeric Substrate
Authors: Lee Hyun‐Sook , Kim Jeongmin , Moon Hongjae , Lee Wooyoung
Published: May 2021

With the recent reillumination of the hydrogen economy around the world, the demand for H2sensors is expected to increase rapidly. Due to safety issues caused by the highly flammable and explosive character of hydrogen gas (H2), it is imperative to develop the sensors that can quickly and sensitively detect H2leaks. For the development of H2sensors, Pd‐based materials have been extensively used due to the high affinity of Pd metal for H2. Among Pd‐based H2sensors, Pd nanogap‐based sensors have been extensively investigated because these sensors can operate in an on–off manner, which enables them to have improved sensing capabilities, including high sensitivity, rapid response, short recovery time, and good reliability. Importantly, significant advances in H2‐sensing performance have been achieved by simply using an elastomeric substrate to form Pd nanogaps. Herein, the progress and advanced approaches achieved over the last decade for Pd nanogap‐based H2sensors supported on elastomeric substrates are reviewed, with a focus on strategies to reduce detection limits and increase reliability, sensitivity, and stability.
2D Electrolytes: Theory, Modeling, Synthesis, and Characterization
Authors: Costa Mariana C. F. , Marangoni Valeria S. , Trushin Maxim , Carvalho Alexandra , Lim Sharon X. , Nguyen Hang T. L. , Ng Pei Rou , Zhao Xiaoxu , Donato Ricardo K. , Pennycook Stephen J. , Sow Chorng H. , Novoselov Konstantin S. , Castro Neto Antonio H.
Published: May 2021

A class of compounds sharing the properties of 2D materials and electrolytes, namely 2D electrolytes is described theoretically and demonstrated experimentally. 2D electrolytes dissociate in different solvents, such as water, and become electrically charged. The chemical and physical properties of these compounds can be controlled by external factors, such as pH, temperature, electric permittivity of the medium, and ionic concentration. 2D electrolytes, in analogy with polyelectrolytes, present reversible morphological transitions from 2D to 1D, as a function of pH, due to the interplay of the elastic and Coulomb energies. Since these materials show stimuli‐responsive behavior to the environmental conditions, 2D electrolytes can be considered as a novel class of smart materials that expand the functionalities of 2D materials and are promising for applications that require stimuli‐responsive demeanor, such as drug delivery, artificial muscles, and energy storage.
Nutrient uptake, microstructural changes and antioxidative mechanisms in Phyllostachys vivax transplanted into coastal site
Authors: Li Juan , Cao Guohua , Cai Chunju , Mu Shaohua , Gao Jian
Published: May 2021

Chinese timber bamboo (Phyllostachys vivax McClure) has been successfully introduced to the coastal belt of eastern China. However, the mechanisms of nutrient uptake and antioxidative protection of P. vivax in response to salinity adaptation in coastal areas remains unclear. P. vivax forests were studied in their native and coastal transplantation sites within the coastal belt of China. In particular, nutrient allocation, anti‐oxidative enzyme activities, biomass accumulation, water contents, water potentials, and root system morphologies vs. microstructures were evaluated in plants from the two sites. Plant morphology adapted to the coastal saline soils by increasing root/shoot ratios and the length of large diameter rhizome, increasing vascular numbers, and lightening epidermal cells within rhizomes. The ratio of Ca2+/Na+ increased, while K+/Na+, Mg2+/Na+ decreased after transplanted to the coastal sites. Nitrogen nutrient contents were significantly positive correlated with plant growth characteristics of P. vivax. The Mg2+, Na+, and Ca2+ concentrations contributed more significantly to differences among organs, while N, Mg2+, Na+, and Ca2+ contents contributed more to root systems. The activities of superoxide dismutase (SOD), peroxidase (POD), and ascorbate peroxidase (APX) decreased, while the levels of glutathione (GSH) and ascorbic acid (AsA) increased in belowground tissues. In contrast, catalase (CAT) activities and protein contents were similar among plants of both sites. The contributions of CAT and proteins were higher for the principal components explaining variation among different organs, while the contributions of APX, CAT, POD, and proteins were higher for root systems.
SO2 Capture Using Porous Organic Cages
Authors: Martínez‐Ahumada Eva , He Donglin , Berryman Victoria , López‐Olvera Alfredo , Hernandez Magali , Jancik Vojtech , Martis Vladimir , Vera Marco A. , Lima Enrique , Parker Douglas J. , Cooper Andrew I. , Ibarra Ilich A. , Liu Ming
Published: May 2021

We report the first experimental investigation of porous organic cages (POCs) for the demanding challenge of SO2 capture. Three structurally related N‐containing cage molecular materials were studied. An imine‐functionalized POC (CC3) showed modest and reversible SO2 capture, while a secondary‐amine POC (RCC3) exhibited high but irreversible SO2 capture. A tertiary amine POC (6FT‐RCC3) demonstrated very high SO2 capture (13.78 mmol g−1; 16.4 SO2 molecules per cage) combined with excellent reversibility for at least 50 adsorption–desorption cycles. The adsorption behavior was investigated by FTIR spectroscopy, 13C CP‐MAS NMR experiments, and computational calculations.
Influence of soapstone waste on the mechanical and rheological properties of high‐density polyethylene
Authors: de Sousa Giulia Simão , da Silva Geovane de Almeida Santos , d'Almeida José Roberto Moraes
Published: May 2021

Soapstone is an abundant mineral in Ouro Preto ‐ Minas Gerais, Brazil and its main destination is in the production of craftsmanship. Rock recovery in those activities is low and the waste disposal is done with little control, which can be hazardous to the environment. This work proposes an alternative use of such potentially harmful waste as reinforcement in a novel polymer matrix composite, which can be particularly attractive to the automotive industry and of which very little information is available elsewhere in the literature. Firstly, the characterization of the waste was performed. Particle size and shape parameters were determined by automated image analysis and the mineralogical composition was determined by X‐ray diffraction, infrared, and Raman spectroscopy. High‐density polyethylene was used as matrix and the composites were made in three matrix/filler ratios: 90/10, 80/20, and 70/30 by weight. Tensile and rheological properties were measured in order to determine the influence of the particles on the polymer mechanical behavior and processing conditions. The materials showed a pseudoplastic behavior and the filler's influence was more pronounced in the 70/30 composites, which showed higher viscosities than the neat polymer. The addition of particles resulted in more brittle and rigid composites, with higher values of tensile strength.
Design, synthesis, and pharmacological characterization of some 2‐substituted‐3‐phenyl‐quinazolin‐4(3H)‐one derivatives as phosphodiesterase inhibitors
Authors: Amin Kamilia M. , Hegazy Gehan H. , George Riham F. , Ibrahim Nahla R. , Mohamed Nada M.
Published: May 2021

Some 3‐phenyl‐quinazolin‐4(3H)‐one‐2‐thioethers (3a–e, 5a,b, 7a–e, 9a–d, 10a–d, and 12) along with 2‐aminoquinazoline derivatives 13a–c were prepared and screened for their in vitro phosphodiesterase (PDE) inhibitory activity. Some compounds such as 7d,e, 9a,b,d, 10a,d, and 13b exhibited promising activity as compared with the non‐selective PDE inhibitor IBMX. This inhibitory activity was validated by molecular docking in the active site of PDE7A and PDE4 to investigate their selectivity. Furthermore, the most active compound 10d (IC50 = 1.15 μM) was tested in vivo using behavioral tests. Compound 10d was able to pass the blood–brain barrier and improve scopolamine‐induced cognitive deficits. Therefore, this core can be considered as a promising scaffold for further optimization to obtain new compounds with better PDE7A selective inhibition.
Production of myo‐inositol: Recent advance and prospective
Authors: Li Yunjie , Han Pingping , Wang Juan , Shi Ting , You Chun
Published: May 2021

Myo‐inositol and its derivatives have been extensively used in the pharmaceutics, cosmetics, and food and feed industries. In recent years, compared with traditional chemical acid hydrolysis, biological methods have been taken as viable and cost‐effective ways to myo‐inositol production from cheap raw materials. In this review, we provide a thorough overview of the development, progress, current status, and future direction of myo‐inositol production (e.g., chemical acid hydrolysis, microbial fermentation, and in vitro enzymatic biocatalysis). The chemical acid hydrolysis of phytate suffers from serious phosphorous pollution and intricate product separation, resulting in myo‐inositol production at a high cost. For microbial fermentation, creative strategies have been provided for the efficient myo‐inositol biosynthesis by synergetic utilization of glucose and glycerol in Escherichia coli. in vitro cascade enzymatic biocatalysis is a multienzymatic transformation of various substrates to myo‐inositol. Here, the different in vitro pathways design, the source of selected enzymes, and the catalytic condition optimization have been summarized and analyzed. Also, we discuss some important existing challenges and suggest several viewpoints. The development of in vitro enzymatic biosystems featuring low cost, high volumetric productivity, flexible compatibility, and great robustness could be one of the promising strategies for future myo‐inositol industrial biomanufacturing.
Promotion and Tuning of the Electrochemical Reduction of Hetero‐ and Homobimetallic Zinc Complexes**
Authors: Kelsey Shaun R. , Kumar Amit , Oliver Allen G. , Day Victor W. , Blakemore James D.
Published: May 2021

Compounds containing multiple metals attract significant interest due to the useful redox and reactivity properties of such species. Here, the electrochemical properties of a family of macrocyclic complexes that feature a zinc(II) center paired with a secondary redox‐inactive metal cation in heterobimetallic (Na+, Ca2+, Nd3+, Y3+) motifs or homobimetallic (Zn2+) motifs have been investigated. The new complexes were prepared via a divergent strategy, isolated, and structurally characterized with single‐crystal X‐ray diffraction (XRD) analysis. XRD results show that the structures of the complexes are modulated by the identity of the incorporated secondary metal ions. Cyclic voltammetry data reveal that ligand‐centered reduction is promoted in the bimetallic complexes and that the paired metal ions synergistically influence the redox properties of the complexes. Similar to prior work from our group and others, the bimetallic complexes containing stronger Lewis acids undergo more significant reduction potential shifts; contrasting with prior work on complexes containing redox‐active metals, however, the zinc(II) complexes studied here display faster electron transfer (as judged by lower reorganization energies, λ) when incorporating di‐ or tri‐valent Lewis acids in contrast to monovalent (and more weakly acidic) sodium. The quantified trends in these data offer insights that could help distinguish metal‐ versus ligand‐centered reduction of bimetallic complexes.
Catalytic Transfer Deuteration and Hydrodeuteration: Emerging Techniques to Selectively Transform Alkenes and Alkynes to Deuterated Alkanes
Authors: Vang Zoua Pa , Hintzsche Samuel J. , Clark Joseph R.
Published: May 2021

Increasing demand for deuterium‐labeled organic molecules has spurred a renewed interest in selective methods for deuterium installation. Catalytic transfer deuteration and transfer hydrodeuteration are emerging as powerful techniques for the selective incorporation of deuterium into small molecules. These reactions not only obviate the use of D2 gas and pressurized reaction setups but provide new opportunities for selectively installing deuterium into small molecules. Commercial or readily synthesized deuterium donors are typically employed as easy‐to‐handle reagents for transfer deuteration and hydrodeuteration reactions. In this minireview, recent advances in the catalytic transfer deuteration and hydrodeuteration of alkenes and alkynes for the selective synthesis of deuterated alkanes will be discussed.
Towards DNA‐Encoded Micellar Chemistry: DNA‐Micelle Association and Environment Sensitivity of Catalysis
Authors: Klika Škopić Mateja , Gramse Christian , Oliva Rosario , Pospich Sabrina , Neukirch Laura , Manisegaran Magiliny , Raunser Stefan , Winter Roland , Weberskirch Ralf , Brunschweiger Andreas
Published: May 2021

The development of DNA‐compatible reaction methodologies is a central theme to advance DNA‐encoded screening library technology. Recently, we were able to show that sulfonic acid‐functionalized block copolymer micelles facilitated Brønsted acid‐promoted reactions such as the Povarov reaction on DNA‐coupled starting materials with minimal DNA degradation. Here, the impact of polymer composition on micelle shape, and reaction conversion was investigated. A dozen sulfonic acid‐functionalized block copolymers of different molar mass and composition were prepared by RAFT polymerization and were tested in the Povarov reaction, removal of the Boc protective group, and the Biginelli reaction. The results showed trends in the polymer structure‐micellar catalytic activity relationship. For instance, micelles composed of block copolymers with shorter acrylate ester chains formed smaller particles and tended to provide faster reaction kinetics. Moreover, fluorescence quenching experiments as well as circular dichroism spectroscopy showed that DNA‐oligomer‐conjugates, although highly water‐soluble, accumulated very effectively in the micellar compartments, which is a prerequisite for carrying out a DNA‐encoded reaction in the presence of polymer micelles.
Structure and Reactivity of N‐Heterocyclic Alkynyl Hypervalent Iodine Reagents
Authors: Le Du Eliott , Duhail Thibaut , Wodrich Matthew D. , Scopelliti Rosario , Fadaei‐Tirani Farzaneh , Anselmi Elsa , Magnier Emmanuel , Waser Jerome
Published: May 2021

Ethynylbenziodoxol(on)e (EBX) cyclic hypervalent iodine reagents have become popular reagents for the alkynylation of radicals and nucleophiles, but only offer limited possibilities for further structure and reactivity fine‐tuning. Herein, the synthesis of new N‐heterocyclic hypervalent iodine reagents with increased structural flexibility based on amide, amidine and sulfoximine scaffolds is reported. Solid‐state structures of the reagents are reported and the analysis of the I−Calkyne bond lengths allowed assessing the trans‐effect of the different substituents. Molecular electrostatic potential (MEP) maps of the reagents, derived from DFT computations, revealed less pronounced σ‐hole regions for sulfonamide‐based compounds. Most reagents reacted well in the alkynylation of β‐ketoesters. The alkynylation of thiols afforded more variable yields, with compounds with a stronger σ‐hole reacting better. In metal‐mediated transformations, the N‐heterocyclic hypervalent iodine reagents gave inferior results when compared to the O‐based EBX reagents.
Magnetic Modulation in Heteroallene and Heterocumulene Based tert‐butyl Nitroxide Diradicals: Spin Delocalization and Conformation Play Crucial Roles
Authors: Sarbadhikary Prodipta , Misra Anirban
Published: May 2021

We have theoretically investigated the magnetic properties of heteroallene (>C=C=X−) and heterocumulene (>C=C=C=X−) based tert‐butyl nitroxide diradicals (X is P/As). Calculation of magnetic exchange coupling constant (J) shows ferromagnetic interaction in heteroallene based diradicals. Whereas, in heterocumulene based diradicals, tuning of J value from antiferro‐ to ferro‐magnetic state is observed from Z‐ to E‐ isomer. Delocalization of spin density from radical site to the coupler (in planar arrangement) is observed in spin distribution analysis which is also advocated by molecular orbital analysis. The typical feature of tert‐butyl nitroxide radical creates spin delocalization along with spin polarization within the coupler. The J values of all the diradicals strongly depend on the dihedral angle between radical center and coupler. Magneto‐structural correlation shows that the change in dihedral angle tunes the magnetic property for both the Z‐ and E‐ isomers of heterocumulenes depending on the spin accumulation on two nearby magnetic centers. The extent of spin delocalization and conformation of spin centers on the molecular axis are important for the different J values observed in our designed systems.
Towards an Understanding of Halide Interactions with the Carbonyl‐Containing Molecule CH3CHO
Authors: Corkish Timothy R. , Haakansson Christian T. , Watson Peter D. , Robinson Hayden T. , McKinley Allan J. , Wild Duncan A.
Published: May 2021

The anion photoelectron spectra of Cl−⋅⋅⋅CD3CDO, Cl−⋅⋅⋅(CD3CDO)2, Br−⋅⋅⋅CH3CHO, and I−⋅⋅⋅CH3CHO are presented with electron stabilisation energies of 0.55, 0.93, 0.48, and 0.40 eV, respectively. Optimised geometries of the singly solvated species featured the halide appended to the CH3CHO molecule in‐line with the electropositive portion of the C=O bond and having binding energies between 45 and 52 kJ mol−1. The doubly solvated Cl−⋅⋅⋅(CH3CHO)2 species features asymmetric solvation upon the addition of a second CH3CHO molecule. Theoretical detachment energies were found to be in excellent agreement with experiment, with comparisons drawn between other halide complexes with simple carbonyl molecules.
A novel twin‐column continuous chromatography approach for separation and enrichment of monoclonal antibody charge variants
Authors: Jing Shu‐Ying , Shi Ce , Leong Hui Yi , Yuan Jun‐Jie , Gao Dong , Wang Hai‐Bin , Yao Shan‐Jing , Lin Dong‐Qiang
Published: May 2021

Downstream processing of mAb charge variants is difficult owing to their similar molecular structures and surface charge properties. This study aimed to apply a novel twin‐column continuous chromatography (called N‐rich mode) to separate and enrich acidic variants of an IgG1 mAb. Besides, a comparison study with traditional scaled‐up batch‐mode cation exchange (CEX) chromatography was conducted. For the N‐rich process, two 3.93 mL columns were used, and the buffer system, flow rate and elution gradient slope were optimized. The results showed that 1.33 mg acidic variants with nearly 100% purity could be attained after a 22‐cycle accumulation. The yield was 86.21% with the productivity of 7.82 mg/L/h. On the other hand, for the batch CEX process, 4.15 mL column was first used to optimize the separation conditions, and then a scaled‐up column of 88.20 mL was used to separate 1.19 mg acidic variants with the purity of nearly 100%. The yield was 59.18% with the productivity of 7.78 mg/L/h. By comparing between the N‐rich and scaled‐up CEX processes, the results indicated that the N‐rich method displays a remarkable advantage on the product yield, i.e. 1.46‐fold increment without the loss of productivity and purity. Generally, twin‐column N‐rich continuous chromatography displays a high potential to enrich minor compounds with a higher yield, more flexibility and lower resin cost.
Comparison of multiple tractography methods for reconstruction of the retinogeniculate visual pathway using diffusion MRI
Authors: He Jianzhong , Zhang Fan , Xie Guoqiang , Yao Shun , Feng Yuanjing , Bastos Dhiego C. A. , Rathi Yogesh , Makris Nikos , Kikinis Ron , Golby Alexandra J. , O'Donnell Lauren J.
Published: May 2021

The retinogeniculate visual pathway (RGVP) conveys visual information from the retina to the lateral geniculate nucleus. The RGVP has four subdivisions, including two decussating and two nondecussating pathways that cannot be identified on conventional structural magnetic resonance imaging (MRI). Diffusion MRI tractography has the potential to trace these subdivisions and is increasingly used to study the RGVP. However, it is not yet known which fiber tracking strategy is most suitable for RGVP reconstruction. In this study, four tractography methods are compared, including constrained spherical deconvolution (CSD) based probabilistic (iFOD1) and deterministic (SD‐Stream) methods, and multi‐fiber (UKF‐2T) and single‐fiber (UKF‐1T) unscented Kalman filter (UKF) methods. Experiments use diffusion MRI data from 57 subjects in the Human Connectome Project. The RGVP is identified using regions of interest created by two clinical experts. Quantitative anatomical measurements and expert anatomical judgment are used to assess the advantages and limitations of the four tractography methods. Overall, we conclude that UKF‐2T and iFOD1 produce the best RGVP reconstruction results. The iFOD1 method can better quantitatively estimate the percentage of decussating fibers, while the UKF‐2T method produces reconstructed RGVPs that are judged to better correspond to the known anatomy and have the highest spatial overlap across subjects. Overall, we find that it is challenging for current tractography methods to both accurately track RGVP fibers that correspond to known anatomy and produce an approximately correct percentage of decussating fibers. We suggest that future algorithm development for RGVP tractography should take consideration of both of these two points.
Employing medical anthropology approach as an additional public health strategy in promoting COVID‐19 vaccine acceptance in Bhutan
Authors: Rocha Ian Christopher N.
Published: May 2021

Bhutan has been commended for their COVID‐19 vaccination campaign, in which the country became the fastest in the world to inoculate nearly all of its adult population in just a few weeks. As a profoundly religious Buddhist kingdom in South Asia, the country successfully utilized a very unique strategy in promoting COVID‐19 vaccine acceptance nationwide. Bhutan incorporated religion, culture, and tradition in their campaign wherein the royal government collaborated with the Zhung Dratsang, the country's central monastic body, in deciding the most auspicious day for the launch of their vaccination rollout by avoiding the one‐month long Dana, selecting the first person to be vaccinated in accordance to the Buddhist astrology, and leading the country in chanting the Sangay Menlha, a mantra believed by many as a powerful prayer in warding off diseases. The launch turned out as a feast for all Bhutanese since it seemingly marked the beginning of the last phase of their COVID‐19 struggle. Incorporating medical anthropology in public health approaches can greatly influence the public, especially when the people are deeply rooted in folk beliefs. This unique strategy can be emulated by many localities with strong influence of cultural traditions and folk beliefs.
Great saves or near misses? Severe maternal outcome in Metro East, South Africa: A region‐wide population‐based case‐control study
Authors: Heitkamp Anke , Vollmer (Murray) Linda , van den Akker Thomas , Gebhardt Gabriel S. , Sandberg Evelien M. , van Roosmalen Jos , ter Wee Marieke M. , de Vries Johanna I. , Theron Gerhard
Published: May 2021

Objective

To assess the incidence of severe maternal outcome (SMO), comprising maternal mortality (MM) and maternal near miss (MNM), in Metro East health district, Western Cape Province, South Africa between November 2014 and November 2015 and to identify associated determinants leading to SMO with the aim to improve maternity care.

Methods

Region‐wide population‐based case‐control study. Women were included in the study, if they were maternal deaths or met MNM criteria, both as defined by WHO. Characteristics of women with SMO were compared with those of a sample of women without SMO, matched for age and parity, taken from midwifery‐led obstetrical units from two residential areas in Metro East, using multivariate regression analysis.

Results

Incidence of SMO was 9.1 per 1000 live births, and incidence of MNM was 8.6 per 1000 live births. Main causes of SMO were obstetrical hemorrhage and hypertensive disorders. Factors associated with SMO were HIV (adjusted odds ratio [aOR] 24.8; 95% confidence interval [CI] 10.0–61.6), pre‐eclampsia (aOR 17.5; 95% CI 7.9–38.7), birth by cesarean section (aOR 8.4; 95% CI 5.8–12.3), and chronic hypertension (aOR 2.4; 95% CI 1.1–5.1).

Conclusion

Evaluation of SMO incidence and associated determinants supports optimizing tailored guidelines in Metro‐East health district to improve maternal health.
Political identities of Chinese international students: Patterns and change in transnational space
Authors: Gao Zhipeng
Published: May 2021

Amid the ongoing international tensions surrounding China, Chinese international students (CISs) in Western countries have become targets of political suspicion. Against discriminatory voices that make sweeping generalisations about CISs, this research argues that their political identities are in fact diverse and malleable. Using theories of postmodernism and transnationalism, this study applies thematic analysis and discourse analysis to interviews with 28 CISs, yielding four major findings. First, it identifies three distinct patterns of political identity: Chinese nationalists who endorse conservative politics in the West; advocates of liberal democracy; and transnational neoliberals who avoid political participation. Second, it argues that CISs undergo identity changes depending on a range of individual and social characteristics. Among these characteristics, third, it highlights the role of socioeconomic status in shaping the political identities of CISs, and in so doing, reflects on the inadequacy of race and nationality as identity markers. Fourth, it suggests that the political identities of CISs are transnationally hinged on both China and the host countries. On the practical front, the study may inform professions working with CISs such as education and policymaking. Theoretically, it suggests that the political identities of CISs are heterogenous, impressionable and transnationally contingent.
Dissociation of hydrogen peroxide in water and methanol through a biased molecular dynamics investigation
Authors: Dong Hieu C. , Ho Thi H. , Nguyen Thu M. , Kawazoe Yoshiyuki , Le Hung M.
Published: May 2021

The two dissociation channels of HOOH, namely, HOOH and HOOH, in water and methanol are investigated using umbrella‐sampling ab initio molecular dynamics. Our potential of mean force calculations reveals the HOOH dissociation to be more favorable in methanol with a free energy barrier of 7.56 kcal/mol, while the HOOH dissociation possesses a free energy barrier of 11.46 kcal/mol. In water, the HOOH dissociation channel is more favorable (8.25 kcal/mol), while the HOOH dissociation process requires a higher free energy (11.28 kcal/mol). Such reaction favorability can be explained by inspecting the formation of secondary radical species during the course of multiple hydrogen donating‐accepting processes in each reaction channel. The radical species, that is, H3O• (observed in water) and CH3OH2• (observed in methanol), are the first subordinate species upon the HOOH dissociation. For the HOOH dissociation channel in methanol, the secondary species such as water and formaldehyde can be observed, while the re‐generation of HOOH in water can be spotted.
Bioavailability and toxicity variation of benzo(a)pyrene in three soil–wheat systems: Indicators of soil quality
Authors: Teng Yong , Zhou Qixing
Published: May 2021

Benzo(a)pyrene [B(a)P] as a representative polycyclic aromatic hydrocarbons (PAHs) is of worldwide i interest and widely studied in various fields. However, biological and biochemical actions of B(a)P in soil–wheat systems are still rarely reported. In view of the fact that the contents of B[a]P as a ubiquitous soil pollutant in the environment varies greatly, in our study at the laboratory‐scale we explored control factors and aimed to increase basic knowledge of its variations and effects on soil–wheat systems. We studied this for different soil types (red, black, and brown) and for soils newly artificially contaminated (at rates of 0.1, 1, and 10 mg kg−1), to provide some references for complicated 'real' cases. The bioavailability (extractability and bioaccumulation) and basic biological toxicity were tested. Results showed that B(a)P concentrations in soil–wheat (Tritticum aestivum L.) systems extracted by HPCD were insignificantly (p > 0.05) higher than Tenax‐TA, and varied with soil types and spiked concentrations. Also, the root and shoot length were mostly inhibited from 0.88% to 26.35%, and 5.46% to 54.85%, respectively, by B(a)P in different soil types and increased with its increasing concentration. Comparatively, higher bioconcentration factor and translocation factor values were observed under lower group in red soil–wheat systems, and under higher added groups in black and brown soil–wheat systems. Moreover, inhibitive effects posed by B(a)P were mainly targeted at wheat shoots in these soils. This study provided a knowledge of B(a)P in ecosystems with different soil types and specific plant species, further to serve for soil environmental protection with many variations.
Cerebrospinal α‐Synuclein Oligomers Reflect Disease Motor Severity in DeNoPa Longitudinal Cohort
Authors: Majbour Nour K. , Abdi Ilham Y. , Dakna Mohammed , Wicke Tamara , Lang Elisabeth , Ali Moussa Houda Y. , Thomas Mercy A. , Trenkwalder Claudia , Safieh‐Garabedian Bared , Tokuda Takahiko , Mollenhauer Brit , El‐Agnaf Omar
Published: May 2021

Background

Tangible efforts have been made to identify biomarkers for Parkinson's disease (PD) diagnosis and progression, with α‐synuclein (α‐syn) related biomarkers being at the forefront.

Objectives

The objectives of this study were to explore whether cerebrospinal fluid (CSF) levels of total, oligomeric, phosphorylated Ser 129 α‐synuclein, along with total tau, phosphorylated tau 181, and β‐amyloid 1–42 are (1) informative as diagnostic markers for PD, (2) changed over disease progression, and/or (3) correlated with motor and cognitive indices of disease progression in the longitudinal De Novo Parkinson cohort.

Methods

A total of 94 de novo PD patients and 52 controls at baseline and 24‐ and 48‐month follow‐up were included, all of whom had longitudinal lumbar punctures and clinical assessments for both cognitive and motor functions. Using our in‐house enzymelinked immunosorbent assays and commercially available assays, different forms of α‐synuclein, tau, and β‐amyloid 1–42 were quantified in CSF samples from the De Novo Parkinson cohort.

Results

Baseline CSF total α‐synuclein was significantly lower in early de novo PD compared with healthy controls, whereas the ratio of oligomeric/total and phosphorylated/total were significantly higher in the PD group. CSF oligomeric‐α‐synuclein longitudinally increased over the 4‐year follow‐up in the PD group and correlated with PD motor progression. Patients at advanced stages of PD presented with elevated CSF oligomeric‐α‐synuclein levels compared with healthy controls.

Conclusions

Longitudinal transitions of CSF biomarkers over disease progression might not occur linearly and are susceptible to disease state. CSF oligomeric‐α‐synuclein levels appear to increase with diseases severity and reflect PD motor rather than cognitive trajectories. © 2021 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society
A new least‐squares‐based reproducing kernel method for solving regular and weakly singular Volterra‐Fredholm integral equations with smooth and nonsmooth solutions
Authors: Xu Minqiang , Niu Jing , Tohidi Emran , Hou Jinjiao , Jiang Danhua
Published: May 2021

Based on the least‐squares method, we proposed a new algorithm to obtain the solution of the second kind of regular and weakly singular Volterra‐Fredholm integral equations in reproducing kernel spaces. The stability and uniform convergence of the algorithm are investigated in detail. Numerical experiments verify the theoretical findings. Meanwhile, this method is also applicable to the nonlinear Volterra integral equations. Test problems which have non‐smooth solutions are also considered, and our proposed method is efficient as some recent Krylov subspace methods such as LSQR and LSMR.
Multilevel space‐time multiplicative Schwarz preconditioner for parabolic equations
Authors: Li Shishun , Shao Xinping , Chen Rongliang
Published: May 2021

Space‐time methods are able to solve time‐dependent problems faster by exploiting the full power of high‐performance computer. In this article, a multilevel space‐time multiplicative Schwarz method is presented for solving parabolic equations in parallel on both spatial and temporal directions. In the implementation, the proposed Schwarz method is treated as preconditioner for GMRES, that is, a coupled system arising from the discretization of the parabolic equation is solved by using a multiplicative Schwarz preconditioned GMRES algorithm. We develop an optimal convergence theory to show that the convergence rate is bounded and independent of the spatial mesh sizes, the time step size, the number of subdomains, the number of levels, and the window size. Some numerical results obtained on a parallel computer with thousands of processors are presented to confirm the theory in terms of optimality and scalability. Moreover, numerical comparisons with traditional time‐stepping algorithms show that the proposed space‐time method earns lots of benefits when the number of processor cores is large.