bluuebunny/crossref_metadata_2025 huggingface dataset:
The Well-being of Students in a Welsh Secondary School Before and After a COVID-19 Lockdown
Authors: Smith Andrew P. , James Arwel
Published: September 2021

Background: There has been considerable research on the well-being of secondary school students, most of which focuses on health-related behaviour or mental health issues. The well-being process model provides a framework that examines predictors of positive and negative well-being outcomes. The model has been validated in many studies of workers and university students. The present study examined the model's applicability to secondary school students whose education is conducted through the medium of the Welsh language. COVID-19 has disrupted education and well-being, and the present study presents profiles of well-being before and after the first COVID-19 lockdown in Wales.

Aims: The first aim was to examine the applicability of the well-being process model to secondary school students. A second aim was to study students where teaching was in the Welsh language. Finally, the research examined the impact of the COVID-19 lockdown and identified predictors of current well-being after lockdown and the long term implications of COVID-19.

Methodology: The research was carried out with the informed consent of the volunteers and approved by the School of Psychology, Cardiff University ethics committee. The participants were 214 students (111 males), and they represented each year group. An online survey was carried out, and the pre-COVID-19 associations between the well-being process predictor variables and outcomes were examined using regression analyses. Predictors of current and long-term well-being post-lockdown were also examined.

Results: The data relating to the pre-COVID 19 periods confirmed that positive well-being was predicted by high scores for psychological capital and social support. Daytime sleepiness was negatively associated with positive well-being. Stress at school was predicted by high student stressors, negative coping, social support and low psychological capital scores. Post-lockdown well-being was predicted by psychological capital and negatively associated with academic stress and fear of infection, and the stress of isolation. The longer-term negative impact of COVID-19 was predicted by problem-focused coping, fear of infection, and social isolation.

Conclusion: The results confirmed the applicability of the well-being process model to Welsh secondary school students. Lockdown during COVID-19 affected well-being, with the risk of infection and the stress of isolation and academic stress being the major negative influences.
Antibacterial Activities of Calcareous/TiO2 Nanocomposites
Authors: Mariselvi P. , Kumar T. Anantha
Published: September 2021

Aims: In the present investigation, To synthesis, characterization and antibacterial activity of Calcareous/TiO2 nanocomposites toward Bacillus, Proteus vulgaris, Micrococcus luteus, Staphylococcus aureus and Escherichia coli.

Methodology: The resulting Calcareous/TiO2 nanocomposite was synthesized by         hydrothermal method. The synthesized nanocomposites were characterized by using XRD,        SEM with EDAX, AFM, TEM and UV-Vis absorption spectroscopy. The antibacterial            activities of the Calcareous/TiO2 nanocomposite species were checked by using agar well diffusion method.

Results: The XRD pattern is showed that the diffraction peaks appear in the pattern    corresponding to the anatase phase of TiO2. UV-Visible spectrum showed that the blue shifted when compared with bulk TiO2 (3.2 eV). The blue shift might be caused by nanosize effect and structural defect of nanomaterials. AFM image shows the morphology of Calcareous/TiO2 nanocomposites forming sharp particles on the surface. TEM image showed that the particles exhibit a relatively uniform particle size distribution. The average size of the nanocomposites estimated from the TEM image is around 50nm.

Conclusion: In conclusion, the Calcareous/TiO2 nanocomposites have been successfully synthesized. The prepared nanocomposites were characterized using various analytical tools like XRD, SEM with EDAX, AFM, TEM, UV-Vis absorption spectrum.
Development and Evaluation of Floating Microspheres of Sumatriptan Succinate using Ethyl Cellulose and Mucilage Extracted from Vigna Mungo
Authors: Kulkarni Nilesh S. , Kulkarni Mukta A. , Khiste Rahul H. , Upadhye Mohini C. , Dhole Shashikant N.
Published: September 2021

Aim: The present investigation is to formulate and evaluate gastroretentive floating microspheres for sumatriptan succinate. Gastric retention is widely used approach to retain dosage form in stomach and to enhance absorption of drugs.

Methods: The gastroretentive floating microspheres was prepared by two different techniques as solvent evaporation and W/O/W multiple emulsion technique. Ethyl cellulose, HPMC K4M polymer and mucilage extracted from Vigna Mungo in various proportions were used for formulation of microspheres. Combination of ethyl acetate and acetone in different proportion was used as organic phase and the microspheres were characterized for particle size, shape, morphology, percentage yield, entrapment efficiency, drug loading, In-Vitro Floating/Buoyancy study, In-vitro Floating/Buoyancy study and release kinetics.

Results: The average particle size of all batches was found in the range 100 to 210 μm and the entrapment efficiency of all formulations was found in the range of 17.46 % to 59.28 %.Total floating time for Sumatriptan succinate floating microspheres was observed more than 12 h. The In-Vitro drug release study was performed for all formulations showed drug release in controlled manner.

Conclusion: The particle size was increased with increased polymer concentration and it showed that polymer concentration has an impact on the entrapment efficiency. Ethyl cellulose microspheres showed more entrapment and sustained delivery of sumatriptan Succinate than microspheres prepared by combination of Ethyl cellulose: HPMC K4M and Ethyl cellulose: Vigna mungo mucilage.
Geographical Diversity in Prevalence and Associated Factors of Anaemia among Adolescents of India-A Systematic Review
Authors: Gore Manisha , Swain Ansuman , Khismatrao Deepak , Saraf Abhay
Published: September 2021

Background: Anaemia is a global public health issue in India with anaemia prevalence of 56% among adolescent girls. While it affects all age groups, pregnant women and children are reported to be at risk. The study aims to understand the underlying factors of anaemia among adolescents.

Methods: The systematic review has included all studies from the time period, 2000 to 2020 which had anaemia prevalence among adolescent girls (10 to 19 years of age). Scopus and Web of Science databases were used to browse relevant articles within April-June, 2020. Study design, sample size, anaemia prevalence, and the method of Haemoglobin estimation, were some of the information recorded.

Results: A total of 88 articles were selected, out of which 20 were retained as per the inclusion criteria. Study from the east zone reported an anaemia prevalence of 36.4% and a significant association between serum ferreting levels and the severity of anaemia. The anaemia prevalence of different studies from the north, west and south zones ranged from 50-70%, 80-90%, and 30-79% respectively. Socio economic status, education of parents, prevalence of vitamin B12 deficiency was some of the important factors contributing to the prevalence were highlighted.

Conclusion: Anaemia prevails across and within the different zones, it is not comparable. However, strengthening of the existing level of effort is necessary to address the issue of anaemia among adolescents in India.
Current Status and Perspectives of Oral Therapeutic Protein and Peptide Formulations: A Review
Authors: Manu G. , Firdose Nagma , Jayanthi M. K. , Raj Ranjith , Patil Shashank M. , Chandra S. Jagadeep , Shirahatti Prithvi S. , Ramu Ramith
Published: September 2021

Medicinal formulations have evolved from the use of small molecules that act by blocking various receptors. On the contrary, therapeutic proteins are a class of medicines that have gained increased popularity owing to its low toxicity, high stability and exquisite specificity. Oral delivery of protein drugs is a very interesting but a highly challenging area of medicine that requires advancements in terms of bioavailability of oral drugs. The main objective of the present review is to provide a systematic overview of the various physiological barriers of delivery of therapeutic proteins and novel approaches available in this field in order to counter these physiological barriers. Advances in terms of inhibitors of proteases, permeation enhancers, mucoadhesives, short peptide conjugates, particulate delivery system including nanoparticles. Oral therapeutic proteins face challenges with regard to oral bioavailability, stability of the protein and reproducibility. Among the various strategies, a co-administration of permeation enhancers with protease inhibitors have proven most effective, while particulate delivery system is still under clinical studies in order to be establishes as a method. Overall, a thorough and focused research with sufficient knowledge on the structure-function relationship, substrate specificity and physiological parameters can deliver a potent therapeutic protein with high efficiency.
Qbd Based RP-HPLC Method Development and Validation for Simultaneous Estimation of Amlodipine Besylate and Lisinopril Dihydrate in Bulk and Pharmaceutical Dosage Form
Authors: Babar Sachin A. , Padwal Sudhakar L. , Bachute Madhusudhan T.
Published: September 2021

The objective of this experiment was to develop and validate a simple, robust, and accurate QbD based Reverse-Phase High-Performance Liquid Chromatography method for Simultaneous estimation of Amlodipine besylate and Lisinopril dihydrate in bulk and Pharmaceutical Dosage form. A box-Behnken design was employed for optimizing the mobile phase, flow rate and pH of buffer, the optimized chromatographic conditions were Phosphate buffer: Methanol (25: 75 v/v), pH of buffer: 6.5 and flow rate: 1mL/min.

Furthermore formulation injected and observed that the additives do not interfere with the peak of Amlodipine besylate and Lisinopril dehydrate. Both drugs are well resolved and Retention times were found to be 2.332 min and 3.584 min respectively.

Linearity was observed in the concentration range of 10 μg to 50 μg/mL (r2=0.999). The accuracy range was 99.75 to 100.04%. Intra-day and Inter-day precision was found to be less than 2% RSD. The proposed method was useful for the best analysis of Amlodipine besylate and Lisinopril dihydrate in Bulk, pharmaceutical dosage forms and was successfully applied to routine analysis.
Cpeb1 expression is post‐transcriptionally regulated by AUF1, CPEB1, and microRNAs
Authors: Oe Souichi , Hayashi Shinichi , Tanaka Susumu , Koike Taro , Hirahara Yukie , Kakizaki Rio , Sakamoto Sumika , Noda Yasuko , Yamada Hisao , Kitada Masaaki
Published: September 2021

Cytoplasmic polyadenylation element binding protein 1 (CPEB1) regulates the translation of numerous mRNAs. We previously showed that AU‐rich binding factor 1 (AUF1) regulates Cpeb1 expression through the 3’ untranslated region (3’UTR). To investigate the molecular basis of the regulatory potential of the Cpeb1 3’UTR, here we performed reporter analyses that examined expression levels of Gfp reporter mRNA containing the Cpeb1 3’UTR. Our findings indicate that CPEB1 represses the translation of Cpeb1 mRNA and that miR‐145a‐5p and let‐7b‐5p are involved in the reduction in Cpeb1 expression in the absence of AUF1. These results suggest that Cpeb1 expression is post‐transcriptionally regulated by AUF1, CPEB1, and microRNAs.
Thioredoxin reductase from Bacillus cereus exhibits distinct reduction and NADPH‐binding properties
Authors: Shoor Marita , Gudim Ingvild , Hersleth Hans‐Petter , Hammerstad Marta
Published: September 2021

Low‐molecular‐weight (low Mr) thioredoxin reductases (TrxRs) are homodimeric NADPH‐dependent dithiol flavoenzymes that reduce thioredoxins (Trxs) or Trx‐like proteins involved in the activation networks of enzymes, such as the bacterial class Ib ribonucleotide reductase (RNR). During the last few decades, TrxR‐like ferredoxin/flavodoxin NADP+ oxidoreductases (FNRs) have been discovered and characterized in several types of bacteria, including those not encoding the canonical plant‐type FNR. In Bacillus cereus, a TrxR‐like FNR has been shown to reduce the flavodoxin‐like protein NrdI in the activation of class Ib RNR. However, some species only encode TrxR and lack the homologous TrxR‐like FNR. Due to the structural similarity between TrxRs and TrxR‐like FNRs, as well as variations in their occurrence in different microorganisms, we hypothesized that low Mr TrxR may be able to replace TrxR‐like FNR in, for example, the reduction of NrdI. In this study, characterization of TrxR from B. cereus has revealed a weak FNR activity toward NrdI reduction. Additionally, the crystal structure shows that only one out of two binding sites of the B. cereus TrxR homodimer is occupied with NADPH, indicating a possible asymmetric co‐substrate binding in TrxR.
Emotional content of the event but not mood influences false memory
Authors: Zhang Weiwei , Cowan Georgia , Colombo Marea , Gross Julien , Hayne Harlene
Published: September 2021

In the present research, we used the misinformation paradigm to investigate the effects of participants' mood during encoding of an event, and the emotional content of the event on false memory. Participants were randomly assigned to one of three mood‐induction groups (positive, negative, or neutral) and they all watched a video of an event that was comprised of positive, negative, and neutral scenes. Participants returned 24‐h later, and were randomly assigned to one of three question groups (misleading, leading, or neutral). False memory was higher for information pertaining to the negative scenes of the event than for information pertaining to the positive scenes of the event. Mood during encoding, however, did not influence false memory of the event. These findings have important practical implications in the context of the courtroom where to‐be‐remembered events and witnesses' mood are often emotionally laden.
Biomimetic 4D‐Printed Breathing Hydrogel Actuators by Nanothylakoid and Thermoresponsive Polymer Networks
Authors: Zhao Hao , Huang Yiming , Lv Fengting , Liu Libing , Gu Qi , Wang Shu
Published: September 2021

Shape‐morphing actuators, which can breathe with the accompany of morphology changes to mimic botanical events, are challenging to fabricate with soft hydrogel materials. Herein, 4D printed‐smart hydrogel actuators are reported that can not only dynamically deform but also generate oxygen (O2) upon external stimulations. The printed breathing actuators featured with spinach leaf‐derived thylakoid membrane (nanothylakoid) for photothermal conversion and catalytical O2 evolution, a poly(N‐isopropylacrylamide) (PNIPA) thermoresponsive polymer network for generating deformation forces by swelling/shrinkage (rehydration/dehydration), and an asymmetric bilayer poly(N‐isopropylacrylamide)/polyacrylamide (PNIPA/PAA) structure to amplify the mechanical motions. Upon thermal stimulation or laser irradiation, the actuator can reversibly bend/unbend because of the photothermal conversion of nanothylakoid and the printed thermoresponsive asymmetric bilayer structure. Additionally, the catalase‐like property of nanothylakoid imparts the actuator with O2 evolution capability to breathe for further mimicking botanical systems. Notably, 4D printing can greatly facilitate and simplify the actuator fabrication process, including adjusting the size and layer compositions. This artificial breathing actuator with photothermal and catalytical properties provides a strategy in designing intelligent hydrogel systems and proves to be a highly promising material candidates in the fields of 3D/4D printing, automated robotics, and smart biomedical devices.
Balancing Intermolecular Interactions between Acceptors and Donor/Acceptor for Efficient Organic Photovoltaics
Authors: Han Chenyu , Wang Jianxiao , Chen Liangliang , Chen Jingfei , Zhou Long , Wang Pengchao , Shen Wenfei , Zheng Nan , Wen Shuguang , Li Yonghai , Bao Xichang
Published: September 2021

Promoted by uninterrupted materials and device innovation, organic solar cells have achieved impressive development. However, the complicated intermolecular interactions inside active layers are less understood. Herein, the intermolecular interactions are studied from the dual perspectives of acceptor/acceptor (A/A) and donor/acceptor (D/A), and how these interactions synergistically control the final efficiencies. Three small molecular acceptors (SMAs) are designed with different end‐caps, which manipulate the crystallinity and electrostatic potential (ESP) distributions of acceptors, and accordingly, the A/A and D/A intermolecular interactions. The results show that SMA LA17 with low A/A interactions exhibits inferior performance around 12%, owing to its strong D/A interaction with donor PM6, which shapes too miscible morphology and increases charge recombination. Instead, LA16 with strong A/A interactions and moderate D/A interactions delivers improved bulk‐heterojunction (BHJ) networks, and therefore, enhances charge transport and diminishes geminate or trap‐assisted charge recombination. Consequently, PM6:LA16 records the competitive efficiency of up to 13.74% among the three systems. Therefore, this study deepens the synergistic or balancing effect of the D/A and A/A interactions on BHJ blends for efficient organic solar cells.
On‐Surface Polymerization of In‐Plane Highly Ordered Carbon Nitride Nanosheets toward Photocatalytic Mineralization of Mercaptan Gas
Authors: Guo Fangsong , Hu Bing , Yang Can , Zhang Jinshui , Hou Yidong , Wang Xinchen
Published: September 2021

2D carbon nitride nanosheets have attracted ever‐increasing interest in photocatalysis due to their unique structural advantages. However, the nanosheets synthesized by the traditional methods, such as post oxidation and liquid exfoliation, have suffered from in‐plane disorder with abundant structural defects, which seriously counteracts their structural benefits for photocatalysis. Herein, it is demonstrated that polymer carbon nitride nanosheets with in‐plane highly ordered structure (PCNNs‐IHO) can be successfully prepared by on‐surface polymerization of melamine on NaCl crystal surface at elevated temperatures. The NaCl crystals with relative high surface energy not only facilitate the adsorption and activation of melamine to undergo condensation reaction, but also function as unique substrates to orientate the assembly of 2D nanosheet structure. In addition, NaCl also acts as a reactant to provide Na+ doping into carbon nitride matrix, affording PCNNs‐IHO with robust structural base sites. Benefiting from this structural basicity, PCNNs‐IHO exhibits superior photocatalytic performance toward CH3SH mineralization under visible light irradiation.
An Evolving Insight into the Progress of Material Design for Membrane‐Based Electrochemical Lithium Ion Detection
Authors: Bakhtiarvand Bakhtiari Atousa , Mohammadi Bahareh , Moazzam Parisa , Didehroshan Dorsa , Razmjou Amir
Published: September 2021

The global shift of energy resources from fossil fuel to renewable energy sources has already begun. The critical energy element of lithium (Li) plays an important role in this energy transition, which is demonstrated by the fast increase in its demand. Rapid and continuous detection of Li has become an important field, as the overexploitation of Li sites, mainly brines, could compromise the nearby aqueous resources that are less salty or contain freshwater. Spent Li‐ion batteries also pose deleterious effects on the environment and aqueous resources. Monitoring of lithium in blood during treating major depressive disorders is also crucial for decreasing the risk of potential lithium toxicity. Li selectivity and stability of membranes as an essential part of any Li sensor is the key to fabricate a high‐performance Li ion‐selective electrode (ISE). Here, the latest progress in Li‐ISEs is covered along with the advanced nanostructured materials that have been recently used for the preparation of Li ion‐selective membranes. The new concepts and technologies that have been created for the purpose of Li mining to be used for Li sensing development are also critically reviewed and highlighted.
Kirigami and Mogul‐Patterned Ultra‐Stretchable High‐Performance ZnO Nanowires‐Based Photodetector
Authors: Kumaresan Yogeenth , Min Guanbo , Dahiya Abhishek Singh , Ejaz Ammara , Shakthivel Dhayalan , Dahiya Ravinder
Published: September 2021

Wearable UV photodetectors (PDs) have attracted interest recently for detection of excess exposure of the skin to the UV radiation. Despite numerous advances made in this direction, many challenges remain, particularly in terms of device reliability under extreme mechanical deformations simultaneously and self‐powering, etc. Herein, a self‐powered stretchable PD developed with kirigami‐inspired honeycomb‐patterned zinc oxide (ZnO) nanowires (NWs) and coupled with a triboelectric nanogenerator (TENG) is presented. After studying in detail the influence of ZnO NWs dispersion medium and metal‐ZnO NWs contacts, a novel fabrication approach employing the structural engineering on NWs‐elastomer composite is used to achieve high stretchability. The fabricated ZnO NWs‐based UV PDs, embedded inside kirigami‐inspired honeycomb‐patterned elastomeric substrate, exhibit unprecedented stretchability (up to 125%) and high‐performance with photo/dark current ratio of ≈5 × 105, responsivity of ≈54 A W−1, and a fast recovery time of 100 ms. Further, the stretchable PD is coupled with flexible TENGs to demonstrate a self‐powered system for potential application in real‐time UV radiation monitoring using advanced wearable healthcare technology.
Organocatalytic Synthesis of Substituted Vinylene Carbonates
Authors: Onida Killian , Haddleton Alice J. , Norsic Sébastien , Boisson Christophe , D'Agosto Franck , Duguet Nicolas
Published: September 2021

The organocatalytic synthesis of substituted vinylene carbonates from benzoins and acyloins was studied using diphenyl carbonate as a carbonyl source. A range of N‐Heterocyclic Carbene (NHC) precursors were screened and it was found that imidazolium salts were the most active for this transformation. The reaction occurs at 90 °C under solvent‐free conditions. A wide range of substituted vinylene carbonates (symmetrical and unsymmetrical, aromatic or aliphatic), including some derived from natural products, were prepared with 20–99% isolated yields (24 examples). The reaction was also developed using thermomorphic polyethylene‐supported organocatalysts as recoverable and recyclable species. The use of such species facilitates the workup and allows the synthesis of vinylene carbonates on the preparative scale (>30 g after 5 runs).

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Structural, Electronic, and Mechanical Properties of 2D Oxidized Diamond (100) Nanofilms
Authors: Liu Yaning , Gong Mengmeng , Jia Suna , Gao Nan , Li Hongdong
Published: September 2021

In this work, the structural, electronic, and mechanical properties of 2D atomically thick diamond (100) nanofilms with surface oxygen functionalization as a function of layer number (n) are investigated by first‐principles calculation. The phonon dispersion curves and ab‐initio molecular dynamics results prove the dynamical and thermal stabilities of the structures at n ≥ 6. The bandgaps of oxidized diamond nanofilms are independent of the layer number, attributed to the main contribution of surface atoms to conductance bands and valence bands near the Fermi energy. The Perdew–Burke–Ernzerhof (PBE) calculations with n from 6 to 22 show that the bandgaps of nanofilms with ether groups on both outmost sides (ether groups on one side and hydrogen functional groups on the other side) are in the region of 1.308–1.838 eV (1.803–1.884 eV). The bandgap values of nanofilms with methoxyacetone groups on both outmost sides (methoxyacetone groups on one side and hydrogen functional groups on the other side) localized in the region of 3.078–3.329 eV (3.135–3.302 eV), and the flat valence bands and conduction bands near the Fermi energy make the easy transition between direct to indirect bandgaps. The calculated elastic constants and acoustic velocities of nanofilms have a significantly parity‐dependent oscillatory phenomenon and increase with increasing film thickness. This work provides new ideas for fabricating 2D diamond‐based nanodevices (i.e., optoelectrical semiconductor devices, micro‐ and nano‐electro‐mechanical systems) with high performances applied in practical fields.
Synthesizable Double Perovskite Oxide Search via Machine Learning and High‐Throughput Computational Screening
Authors: Kim Joonchul , Kim Eunsong , Min Kyoungmin
Published: September 2021

Double perovskite structures have great potential for applications in batteries, lighting devices, and energy‐harvesting materials. In this study, the synthesizability of ABB′O3 double perovskite materials is predicted using machine learning. The machine learning algorithms are validated by performing high‐throughput computational screening. First, material properties extracted from the Materials Project database are used as training data to develop models to predict the formation energy and convex hull energy of general inorganic materials. A regression model predicts the formation energy of general inorganic materials with a high accuracy; an R‐squared value equal to 0.98 and a root‐mean‐square error of 0.175 eV atom−1 are recorded. In addition, a classification accuracy for the convex hull energy of 0.77 is calculated, with an F1‐score of 0.771, in a separate model. Both models are employed to estimate the possible synthesizability of 11 763 ABB′O3 structures and their accuracy is further validated by performing first‐principles calculations, whose classification accuracy for the convex hull energy reaches an accuracy of 0.646, with an F1‐score of 0.733. The constructed surrogate model, as well as the materials database, can guide the discovery of synthesizable double perovskite oxide structures.
Tuning the High‐Efficiency Field‐Free Current‐Induced Deterministic Switching via Ultrathin PtMo Layer with Mo Content
Authors: Bekele Zelalem Abebe , Li Runze , Li Yucai , Cao Yi , Liu Xionghua , Wang Kaiyou
Published: September 2021

Spin‐orbit torque (SOT)‐based magnetization switching is a promising candidate for the innovation and developments of spintronic devices. However, the necessity of an in‐plane magnetic field to induce deterministic switching is an obstacle to feasibility in practical applications. Here, it is shown that the field‐free current‐induced magnetization switching in a perpendicular magnetized Pt1−xMox/Co/Ru heterostructure with x = 0, 0.04, 0.07, 0.12, and 0.17. Applying an in‐plane charge current through the Pt1−xMox layer, the device can achieve a high‐efficiency field‐free current‐induced magnetization switching with competing spin currents generated from a single Pt1−xMox alloy layer due to opposite spin Hall angles (θSHA) of Pt and Mo atoms and locally induced electric field. Remarkably, the large θSHA of about 0.35 is achieved in the optimal composition of Pt0.88Mo0.12 alloy, which is much higher than that of the pure Pt structure. The results pave the way to resolve the future problems of scalability and thermal stability for SOT‐driven magnetic tunnelling junctions.
A decoupling strategy for protecting sensitive process information in cooperative optimization of power flow
Authors: Varelmann Tim , Otashu Joannah I. , Seo Kyeongjun , Lipow Adrian W. , Mitsos Alexander , Baldea Michael
Published: September 2021

Optimal power flow (OPF) with close cooperation between the power grid and flexible electricity‐intensive chemical processes can reduce costs for the grid and for electricity users. However, this would require sharing detailed chemical process models, which may reveal confidential information and potentially jeopardize competitive advantages for a chemical process operator. We propose an algorithm that enables economically advantageous cooperation without the need to exchange sensitive information. Low‐order linear models are used to represent the dynamic behavior of electricity‐intensive processes. We integrate these models into the OPF problem and solve the problem using a decoupling strategy based on Benders‐type cuts. The cuts introduce limited communication between the chemical processes and the grid without exchanging explicit information pertaining to the process dynamics and performance. Our results reproduce solutions obtained by sharing detailed process models up to a user‐defined optimality gap for several test cases that reflect both normal and congested grid states. We also investigate the trade‐off between the value of the optimality gap and computational effort. Finally, we study the scaling behavior of the iterative procedure with respect to flexible loads at multiple grid locations.
Clinical trials for genetic diseases in Latin America
Authors: Poswar Fabiano de Oliveira , da Silva Larissa Pozzebon , Zambrano Marina Bauer , Pedrini Diane Bressan , Saute Jonas Alex Morales , Giugliani Roberto
Published: September 2021

Latin American geneticists have been contributing to the scientific development of Human and Medical Genetics fields since the early 1950s. In the last decades, as Medical Genetics is moving toward a new era of innovative therapies for previously untreatable conditions, the participation of Latin America in clinical trials is also increasing. This review discusses the particularities regarding funding, regulatory, and ethical aspects of conducting clinical trials for genetic diseases in Latin America, with an especial focus on Brazil, the largest country with the highest number of studies. Although there are still several barriers to overcome, the recent development of orphan drug legislation and policies for rare diseases in many Latin American countries indicates a growing opportunity for the participation of the region in international efforts for the development of new therapies for genetic diseases.
Recovery of the Irreversible Crystallinity of Nanocellulose by Crystallite Fusion: A Strategy for Achieving Efficient Energy Transfers in Sustainable Biopolymer Skeletons**
Authors: Daicho Kazuho , Kobayashi Kayoko , Fujisawa Shuji , Saito Tsuguyuki
Published: September 2021

Crystallites form a grain boundary or the inter‐crystallite interface. A grain boundary is a structural defect that hinders the efficient directional transfer of mechanical stress or thermal phonons in crystal aggregates. We observed that grain boundaries within an aggregate of crystalline cellulose nanofibers (CNFs) were crystallized by enhancing their inter‐crystallite interactions; multiple crystallites were coupled into single fusion crystals, without passing through a melting or dissolving state. Accordingly, the lowered crystallinity of CNFs, which has been considered irreversible, was recovered, and the thermal energy transfer in the aggregate was significantly improved. Other nanofibrous crystallites of chitin also showed a similar fusion phenomenon by enhancing the inter‐crystallite interactions. Such crystallite fusion may naturally occur in biological structures with network skeletons of aggregated fibrillar crystallites having mechanical or thermal functions.
Photoinduced Radical Emission in a Coassembly System
Authors: Li Yiran , Baryshnikov Glib V. , Xu Chenggang , Ågren Hans , Zhu Liangliang , Yi Tao , Zhao Yanli , Wu Hongwei
Published: September 2021

Developing radical emission at ambient conditions is a challenging task since radical species are unstable in air. In the present work, we overcome this challenge by coassembling a series of tricarbonyl‐substituted benzene molecules with polyvinyl alcohol (PVA). The strong hydrogen bonds between the guest dopants and the PVA host matrix protect the free radicals of carbonyl compounds after light irradiation, leading to strong solid state free radical emission. Changing temperature and peripheral functional groups of the tricarbonyl‐substituted benzenes can influence the intensity of the radical emission. Quantum‐chemical calculations predict that such free radical fluorescence originates from anti‐Kasha D2→D0vertical emission by the anion radicals. The photoinduced radical emission by the tricarbonyl‐substituted benzenes was successfully utilized for information encryption application.
Fabrication, characterization, and evaluation of desiccant doped hydrogel films for potential air‐dehumidification applications
Authors: Bhowmik Mrinal , Dharmalingam Koodalingam , Halder Sayan , Muthukumar Palanisamy , Anandalakshmi Ramalingam
Published: September 2021

Temperature‐independent humidity control through desiccant material provides a substantial impact on minimizing energy shortages and reduces environmental problems without compromising human thermal comfort. In the present study, desiccant (lithium bromide: calcium chloride) doped sodium carboxymethyl cellulose (NaCMC) films using citric acid as a crosslinker were developed to explore the air dehumidification and regeneration capability of films. Films were prepared at various desiccant concentrations (5%, 10%, and 20%), and were characterized using X‐ray powder diffraction (XRD), thermo‐gravimetric (TG), moisture absorption, and water vapor permeability (WVP) analysis. XRD analysis revealed that there were no characteristic peaks of desiccants in the film samples, which indicated that the mixing of desiccants was homogeneous in the films. Moisture absorption and TG analysis revealed that films contained 10% desiccants showed an effective instantaneous moisture‐holding capacity and faster regeneration rate, respectively, compared to 5% and 20% desiccant doped hydrogel films. It was found from WVP test that increasing amount of desiccants decreased the WVP due to reduction in intermolecular space in the prepared films. Further, a comprehensive comparison was made to visualize the effectiveness of developed desiccant films. All these data recommend that the prepared desiccant doped films can be used for potential air dehumidification applications.
Composition conversion and parameters influence of nanosecond ultraviolet laser cutting polystyrene film
Authors: Xin Guoqiang , Wang Miaozheng , Huang Yu , Rong Youmin
Published: September 2021

Polystyrene (PS) film has great application potential in the electronics industry, optical instruments, and biomedical equipment, for its excellent optical, insulating, and mechanical properties. The composition conversion mechanism of the nanosecond laser cutting PS film process was studied by Raman and thermal analysis simulation. Raman tests verified that laser cutting would not create new solid by‐products and only had an influence on a few chemical bonds. Thermal cracking indicated that the released gas by‐product was mainly Benzene derivatives with benzene ring as the main body, which were harmful to human health. Thermogravimetric‐infrared combined analysis showed that the weight loss reached maximum rate at 405.73°C and remained basically unchanged after 444.85°C. Moreover, a quality evaluation standard composed of cutting kerf zone and heat‐affected zone for nanosecond laser cutting of PS film was established. A three‐factor and five‐level orthogonal experiment was performed for research the cutting processes, and 2 (190 kHz)–4 (0.4 m/s)–4 (65) was the preferable process parameter combination by analysis comprehensively. Interaction analysis was also conducted to clarify the correlation between laser cutting factors. This work has an important guiding role in the industrial application of PS film laser cutting.
Dolphin population specialized in foraging with artisanal fishers requires zero‐bycatch management to persist
Authors: Bezamat Carolina , Hammond Philip S. , Castilho Pedro V. , Simões‐Lopes Paulo C. , Daura‐Jorge Fábio G.
Published: September 2021

The small population paradigm assumes that populations with low numbers of individuals intrinsically have a high probability of extinction. The small population of Lahille’s bottlenose dolphins Tursiops truncatus gephyreus that specializes in foraging with artisanal fishers in Laguna, southern Brazil, faces human pressures including bycatch in fishing gear. The viability of this population was modelled over 30 and 100 years under different levels of bycatch, including the current scenario of two bycatches every year, two scenarios with higher incidence of bycatches and three management scenarios. The sensitivity of predicted growth rates to fixed‐proportion and observed‐variation changes in life history parameters was explored.

The current scenario predicted a declining population (r = −0.014; λ = 0.986) with a high probability of extinction in the long term (PE = 0.71). A small increase in bycatches would result in a marked increase in the probability of extinction. Management scenarios seem promising, but only the zero‐bycatch management scenario would make the difference between a declining and an increasing population.

As expected for slow‐growing species, population growth rate was most sensitive to proportional changes in adult female and juvenile survival. However, considering observed variation in vital rates, population dynamics were most influenced by variation in reproductive rates.

To determine the highest priority for management action, another simulation was made of how additional threat scenarios of recognized human activities (i.e. bycatch influencing adult survival and increased underwater noise or pollution influencing calf survival) would affect population dynamics. Population growth rate was very sensitive to changes in adult bycatch (especially females), as expected, and only subtly sensitive to a reduction in calf survival.

The current level of bycatch is unsustainable. Bycatch needs to be eliminated to maximize the probability of long‐term persistence of this dolphin population. However, this population’s persistence could be threatened by natural variation in reproductive rates.
A self‐exciting modeling framework for forward prices in power markets
Authors: Callegaro Giorgia , Mazzoran Andrea , Sgarra Carlo
Published: September 2021

We propose and investigate two model classes for forward power price dynamics, based on continuous branching processes with immigration, and on Hawkes processes with exponential kernel, respectively. The models proposed exhibit jumps clustering features. Models of this kind have been already proposed for the spot price dynamics, but the main purpose of the present work is to investigate the performances of such models in describing the forward dynamics. We adopt a Heath–Jarrow–Morton approach in order to capture the whole forward curve evolution. By examining daily data in the French power market, we perform a goodness‐of‐fit test and we present our conclusions about the adequacy of these models in describing the forward prices evolution.
Characterization of fecal microbiome in biopsy positive prostate cancer patients
Authors: Katz Ran , Ahmed Muhamad Abu , Safadi Ali , Abu Nasra Wasiem , Visoki Alexander , Huckim Michael , Elias Ibrahim , Nuriel‐Ohayon Meital , Neuman Hadar
Published: September 2021

Objectives

To characterize the fecal microbiome in newly diagnosed prostate cancer patients.

Patients and methods

Forty‐nine consecutive patients who were referred for trans rectal prostate biopsy were tested. Patients who received antibiotics 3 months prior to the biopsy, patients with history of pelvic irradiation, prostate or colon cancer, inflammatory bowel disease and urinary tract infection were excluded. A rectal swab was obtained just prior to the biopsy, immediately placed in a sterile tube and kept in −80°C. Sequencing was performed for the 16S rRNA 515F + 806R gene fragment using the QIIME2 software. Analytic tests included Beta diversity (Weighted Unifrac, Unweighted Unifrac, Bray‐Curtis), Alpha diversity (Faith, Evenness), Taxa bar plots and PCoA plots.

Results

Forty‐five samples were suitable for analysis with at least 8000 readings per sample. All patients were Caucasian. Twenty patients had prostate cancer and 25 had benign prostates (BPH). Among prostate cancer patients, Gleason Score was 3 + 3 in 11 patients, 3 + 4 in 5, 4 + 3 in 3, and 4 + 4 in 2. There was no statistical difference in demographic parameters between the groups. We identified over 1000 bacterial species, typical for the colonic microbiome. No significant differences in bacterial populations were found between prostate cancer versus benign prostate patients nor between age groups or between subgroups of Gleason or International Society of Uro‐pathology (ISUP) scores.

Conclusions

Although the microbiome has previously been shown to have an impact on the human microenvironment and cancer risk, we could not demonstrate a significant difference between the flora diversity of newly diagnosed prostate cancer patients and BPH patients. Further research into distinct bacterial metabolic pathways may reveal unique risk factors for prostate cancer.
Multiple strategies for metabolic engineering of Escherichia coli for efficient production of glycolate
Authors: Zhu Tong , Yao Die , Li Di , Xu Hongtao , Jia Shiru , Bi Changhao , Cai Jun , Zhu Xinna , Zhang Xueli
Published: September 2021

Glycolate is a bulk chemical with wide applications in the textile, food processing, and pharmaceutical industries. Glycolate can be produced from glucose via the glycolysis and glyoxylate shunt pathways, followed by reduction to glycolate. However, two problems limit the productivity and yield of glycolate when using glucose as the sole carbon source. The first is a cofactor imbalance in the production of glycolate from glucose via the glycolysis pathway, since NADPH is required for glycolate production, while glycolysis generates NADH. To rectify this imbalance, the NADP+‐dependent glyceraldehyde 3‐phosphate dehydrogenase GapC from Clostridium acetobutylicum was introduced to generate NADPH instead of NADH in the oxidation of glyceraldehyde 3‐phosphate during glycolysis. The soluble transhydrogenase SthA was further eliminated to conserve NADPH by blocking its conversion into NADH. The second problem is an unfavorable carbon flux distribution between the tricarboxylic acid cycle and the glyoxylate shunt. To solve this problem, isocitrate dehydrogenase (ICDH) was eliminated to increase the carbon flux of glyoxylate and thereby improve the glycolate titer. After engineering through the integration of gapC, combined with the inactivation of ICDH, SthA, and by‐product pathways, as well as the upregulation of the two key enzymes isocitrate lyase (encoding by aceA), and glyoxylate reductase (encoding by ycdW), the glycolate titer increased to 5.3 g/L with a yield of 1.89 mol/mol glucose. Moreover, an optimized fed‐batch fermentation reached a titer of 41 g/L with a yield of 1.87 mol/mol glucose after 60 h.
Provider‐ and patient‐level predictors of oral anticancer agent initiation and adherence in patients with metastatic renal cell carcinoma
Authors: Spees Lisa P. , Wheeler Stephanie B. , Jackson Bradford E. , Baggett Christopher D. , Wilson Lauren E. , Greiner Melissa A. , Kaye Deborah R. , Zhang Tian , George Daniel , Scales Charles D. , Pritchard Jessica E. , Leapman Michael , Gross Cary P. , Dinan Michaela A.
Published: September 2021

Background

Improving oral anticancer agent (OAA) initiation and adherence is the important quality‐of‐care issues, particularly since one fourth of anticancer agents being developed will be administered orally. Our objective was to identify provider‐ and patient‐level characteristics associated with OAA initiation and adherence among individuals with metastatic renal cell carcinoma (mRCC).

Methods

We used state cancer registry data linked to multi‐payer claims data to identify patients with mRCC diagnosed in 2004–2015. Provider data were obtained from North Carolina Health Professions Data System and the National Plan & Provider Enumeration System. We estimated risk ratios (RRs) and corresponding 95% confidence limits (CLs) using modified Poisson regression to evaluate factors associated with OAA initiation and adherence.

Results

Among the 207 (out of 687) patients who initiated an OAA following mRCC diagnosis and survived 90 days, median proportion of days covered was 0.91. Patients with a modal provider specializing in hematology/medical oncology were much more likely to initiate OAAs than those seen by other specialties. Additionally, patients with a female provider were more likely to initiate OAAs than those with a male provider. Compared to patients treated by providers practicing in both urban and rural areas, patients with providers practicing solely in urban areas were more likely to initiate OAAs, after controlling for patient‐level factors (RR = 1.37; 95% CL: 1.09–1.73). Medicare patients were less likely to be adherent than those with private insurance (RR = 0.61; 95% CL: 0.42–0.87).

Conclusions

Our results suggest that provider‐ and patient‐level factors influence OAA initiation in patients with mRCC but only insurance type was associated with adherence.
Stories of Courage Among Emerging Adults in Precarious Work
Authors: Santilli Sara , Maggio Ilaria Di , Ginevra Maria Cristina , Nota Laura , Soresi Salvatore
Published: September 2021

Young precarious workers are increasingly exposed to forms of discrimination, inequality, and poverty; therefore, it is crucial to listen to their voices and increase their awareness of the characteristics of decent work. We examined stories of courage among 40 emerging adult precarious workers using a hybrid, qualitative approach involving a thematic analysis through which two independent researchers generated deductive and inductive codes. Our participants’ stories of courage provide an account of the social and cultural costs of neoliberal development, revealing how systematic processes of privilege and discrimination influence emerging adults’ experiences and courageous actions. The results highlight that precarious young workers do not experience dignified work conditions and may experience injustice and discrimination in work contexts. Our study has important theoretical and practical implications for research and practice and confirms narrative career counseling's value to investigate working conditions of today's youth.
Dinuclear Au(I), Au(II) and Au(III) Complexes with (CF2)n Chains: Insights into The Role of Aurophilic Interactions in the Au(I) Oxidation
Authors: Portugués Alejandro , Bautista Delia , Gil‐Rubio Juan
Published: September 2021

New dinuclear Au(I), Au(II) and Au(III) complexes containing (CF2)n bridging chains were obtained. Metallomacrocycles [Au2{μ‐(CF2)4}{μ‐diphosphine}] show an uncommon figure‐eight structure, the helicity inversion barrier of which is influenced by aurophilic interactions and steric constraints imposed by the diphosphine. Halogenation of LAu(CF2)4AuL (L=PPh3, PMe3, (dppf)1/2, (binap)1/2) gave [Au(II)]2 species, some of which display unprecedented folded structures with Au−Au bonds. Aurophilic interactions facilitate this oxidation process by preorganizing the starting [Au(I)]2 complexes and lowering its redox potential. The obtained [Au(II)]2 complexes undergo thermal or photochemical elimination of R3PAuX to give Au(III) perfluorinated auracycles. Evidence of a radical mechanism for these decomposition reactions was obtained.