bluuebunny/crossref_metadata_2025 huggingface dataset:
Designing Efficient Single Metal Atom Biocatalysts at the Atomic Structure Level
Authors: Liu Yang , Zhao Huan , Zhao Yanli
Published: January 2024

Various nanomaterials as biocatalysts could be custom‐designed and modified to precisely match the specific microenvironment of diseases, showing a promise in achieving effective therapy outcomes. Compared to conventional biocatalysts, single metal atom catalysts (SMACs) with maximized atom utilization through well‐defined structures offer enhanced catalytic activity and selectivity. Currently, there is still a gap in a comprehensive overview of the connection between structures and biocatalytic mechanisms of SMACs. Therefore, it is crucial to deeply investigate the role of SMACs in biocatalysis from the atomic structure level and to elucidate their potential mechanisms in biocatalytic processes. In this minireview, we summarize catalysis regulation methods of SMACs at the atomic structure level, focusing on the optimization of catalytic active sites, coordination environment, and active site‐support interactions, and briefly discuss biocatalytic mechanisms for biomedical applications.
Emergency front of neck access in the management of acute airway obstruction secondary to postoperative neck haematoma
Authors: Penston V. , White S. , Safar M. , Groom P.
Published: January 2024

Airway compromise is the most significant complication of a postoperative neck haematoma. Here, we report the management of a case of complete airway obstruction secondary to an acute neck haematoma arising after radical neck dissection, partial glossectomy and a free flap reconstruction. The patient deteriorated precipitously and required immediate emergency surgical front of neck access to secure the airway. Drawing on our experience of this case, we propose a mental model to inform the emergency airway management of postoperative neck haematoma following all types of surgery.
Valorization of bio‐calcium carbonate based Chamelea gallina shell waste fillers in shape memory polymer composites
Authors: Selçuk Pekdemir Sibel , Onay Hatice , Özen Öner Ecem , Pekdemir Mustafa Ersin , Kök Mediha , Ateş Burhan , Aydoğdu Yıldırım , Dalgıç Göktuğ
Published: January 2024

In recent years, the focus has been on the use of calcium carbonate‐based seashell wastes in the production of new thermoplastic and thermoset polymer materials, paving the way for their use as biofillers in polymeric composites. In this study, it is aimed to obtain a new polymeric composite material by doping Chamelea gallina shells, on polylactic acid (PLA)/polyethylene glycol (PEG) blend. Structural characterization of the obtained PLA/PEG blend/C. gallina composite films was performed with attenuated total reflection infrared spectroscopy (ATR‐IR). When the thermal properties of composite materials were examined by thermogravimetric analysis (TGA), it was determined that the thermal stability of polymeric composites increased with the addition of C. gallina. SEM images showed that the polymer blend films, which appeared to have a porous structure, filled the pores with increasing C. gallina ratio. It was observed that the biodegradability of PLA/PEG blend composite films decreased with increasing C. gallina shells addition. However, C. gallina had a positive effect on the swelling and water absorption capacities of polymeric composites. The increase in tensile strength and elongation at break values of PLA/PEG blend/C. gallina composite films with increasing C. gallina means that the mechanical properties of the polymer are improved.
Photophysical Ion Dynamics in Hybrid Perovskite MAPbX3 (X=Br, Cl) Single Crystals
Authors: Papadopoulos Konstantinos , Forslund Ola Kenji , Cottrell Stephen , Yokoyama Koji , Nayak Pabitra K. , Noa Francoise M. Amombo , Öhrström Lars , Nocerino Elisabetta , Börjesson Lars , Sugiyama Jun , Månsson Martin , Sassa Yasmine
Published: January 2024

Hybrid organic–inorganic perovskites (HOIPs) are promising candidates for next‐generation photovoltaic materials. However, there is a debate regarding the impact of interactions between the organic center and the surrounding inorganic cage on the solar cell's high diffusion lengths. It remains unclear whether the diffusion mechanism is consistent across various halide perovskite families and how light illumination affects carrier lifetimes. The focus is on ion kinetics of (CH3NH3)PbX3 (X = Br, Cl) perovskite halide single crystals. Muon spectroscopy (μ+SR)is employed to investigate the fluctuations and diffusion of ions via the relaxation of muon spins in local nuclear field environments. Within a temperature range of 30–340 K, ion kinetics are studied with and without white‐light illumination. The results show a temperature shift of the tetragonal‐orthorhombic phase transition on the illuminated samples, as an effect of increased organic molecule fluctuations. This relation is supported by density functional theory (DFT) calculations along the reduction of the nuclear field distribution width between the phase transitions. The analysis shows that, depending on the halide ion, the motional narrowing from H and N nuclear moments represents the molecular fluctuations. The results demonstrate the importance of the halide ion and the effect of illumination on the compound's structural stability and electronic properties.
Trophic history of Hawaiian green turtles as revealed by stable isotope ratios (δ13C, δ15N and δ34S) in the bones of museum specimens
Authors: Velasquez‐Vacca Adriana , Seminoff Jeffrey A. , Jones T. Todd , Balazs George H. , Cardona Luis
Published: January 2024

Understanding consumer trophic status and long‐term dietary changes can yield information about impacts of altered habitats on their ecology. In Hawai'i, coastal ecosystems have been significantly modified by the introduction of invasive seaweeds and mangroves, high nutrient load and overfishing, but so far, much is still to be understood about how these changes have affected the green turtle (Chelonia mydas).

This study analyzed stable carbon, nitrogen, and sulfur isotope ratios in the bone tissue of modern and museum specimens of green turtles collected from 1901 to 2020 in Oahu and the North‐western Hawaiian Islands to understand how their isotopic niche has changed through time, a crucial step towards restoring the ecological role of a formerly decimated species.

The standard ellipse size and the total area of the convex hull of the isotopic niche of green turtles in three periods (1901–1951, 1992–2008, and 2018–2020) were calculated.

The stable isotope values of ancient green turtles (1901–1951) suggest that they relied heavily on macroalgae even before the introduction of exotic species and eutrophication promoted the development of algal pastures.

However, a few ancient green turtles relied heavily on seagrasses, and others complemented their macroalgae‐based diets with significant amounts of animal matter. Such diet specialists were missing from the sample of current green sea turtles, suggesting that these foraging strategies are less common or perhaps even absent in the current population. The results suggest that green turtles have converged on the use of the most abundant resource, red macroalgae, likely because of the homogenization and simplification of coastal habitats and food webs due to anthropogenic influences.

Restoring the population size of herbivorous fishes and a more diverse ecosystem structure may be necessary to recover the array of trophic strategies formerly present in the Hawaiian green turtle population.
Infants who develop autism show smaller inventories of deictic and symbolic gestures at 12 months of age
Authors: Wu Dennis , Wolff Jason J. , Ravi Shruthi , Elison Jed T. , Estes Annette , Paterson Sarah , St. John Tanya , Abdi Hervé , Moraglia Luke E. , Piven Joseph , Swanson Meghan R. ,   for the IBIS Network
Published: January 2024

Gestures are an important social communication skill that infants and toddlers use to convey their thoughts, ideas, and intentions. Research suggests that early gesture use has important downstream impacts on developmental processes, such as language learning. However, autistic children are more likely to have challenges in their gestural development. The current study expands upon previous literature on the differences in gesture use between young autistic and non‐autistic toddlers by collecting data using a parent‐report questionnaire called the MCDI–Words and Gestures at three time points, 12, 18, and 24 months of age. Results (N = 467) showed that high‐likelihood infants who later met diagnostic criteria for ASD (n = 73 HL‐ASD) have attenuated gesture growth from 12 to 24 months for both deictic gestures and symbolic gestures when compared to high‐likelihood infants who later did not meet criteria for ASD (n = 249 HL‐Neg) and low‐likelihood infants who did not meet criteria for ASD (n = 145 LL‐Neg). Other social communicative skills, like play behaviors and imitation, were also found to be impacted in young autistic children when compared to their non‐autistic peers. Understanding early differences in social communication growth before a formal autism diagnosis can provide important insights for early intervention.
Control of phytopathogen organisms using bioactive compounds contained in orange wax
Authors: García‐Cruz Ariel , Díaz‐Jiménez Lourdes , Enríquez‐Vara Jhony , Mtz‐Enríquez Arturo I. , Quiñones‐Aguilar Evangelina E. , Ramos‐González Rodolfo , Aguilar‐González Cristóbal N. , Martínez‐Hernández José L. , Rincón‐Enríquez Gabriel , Iliná Anna
Published: January 2024

Orange wax (OW) is a waxy waste generated in the essential oil purification process (winterization). It has no commercial value. It is discarded or burnt, polluting the environment. The present study demonstrates the possibility of applying it to control phytopathogens. The ethanol‐soluble bioactive compounds of OW were identified and quantified. The effect of orange wax extracts on the growth inhibition of phytopathogenic fungi (Fusarium oxysporum and Colletotrichum gloeosporioides) and Spodoptera frugiperda larvae was evaluated. High‐performance liquid chromatography–mass spectrometry (HPLC‐MS) and gas chromatography–mass spectrometry (GC–MS) quantified 22 bioactive compounds representing 23% (w/w) of OW. Terpineol, limonene, and eremophilene were the most abundant bioactive substances in this material. The distortion of the radial growth of the fungal hyphae was measured in a potato dextrose agar (PDA), and all tested concentrations (6.3, 12.5, 25, 50, and 100 mg/mL) inhibited the radial expansion of C. gloeosporioides. In contrast, only the OW extracts at 50 and 100 mg mL−1 inhibited F. oxysporum. Spray treatments were performed using a Potter spray tower on third‐instar Spodoptera frugiperda larvae. Spraying OW extract at 50 mg mL−1 for 10 s caused the highest larval mortality. However, third‐instar larvae were attracted to consume corn leaves moistened with extract at lower concentrations. Up to 93% of the first‐instar larvae died after eating corn leaves moistened with the extract at 50 mg mL−1. As far as the authors are aware, this is the first scientific report about the use of bioactive compounds of orange wax to control fungi. Spodoptera frugiperda could form the basis for the manufacture of new biopesticides.
Testosterone nadir and clinical outcomes in patients with advanced prostate cancer: Post hoc analysis of triptorelin pamoate Phase III studies
Authors: Klotz Laurence , Tat Tri
Published: January 2024

Objective

The objective of the study is to evaluate whether low nadir testosterone during treatment with triptorelin pamoate, a luteinising hormone‐releasing hormone (LHRH) agonist, is associated with improved clinical outcomes in patients with advanced prostate cancer using a retrospective analysis of clinical trial data.

Patients and methods

Data were pooled from three prospective, 9–12‐month Phase III studies of triptorelin monotherapy in patients with advanced prostate cancer (including NCT00751790). The serum testosterone concentration suppression targets evaluated were <0.35 nmol/L (<10 ng/dl), <0.7 nmol/L (<20 ng/dl), <1.7 nmol/L (<50 ng/dl) and ≥1.7 nmol/L. Overall survival (OS) and disease‐specific survival (DSS) by testosterone suppression group were assessed by Kaplan–Meier analysis, with log‐rank test. The time frame for the primary analysis was Days 1–518 (median OS follow‐up 254 days [range, 29–518 days]) and for the sensitivity analyses was Days 1–262. Supplementary analyses combined the ≥0.7‐ to <1.7‐nmol/L and ≥1.7‐nmol/L groups.

Results

The sample size comprised 592 patients (most received triptorelin monotherapy; four reported concomitant androgen receptor‐axis–targeted therapy). Nadir testosterones of <0.35, ≥0.35 to <0.7, ≥0.7 to <1.7 and ≥1.7 nmol/L were achieved by 96%, 3.2%, 0.34% and 0.17% of patients, respectively. Better OS with decreasing level of nadir testosterone was observed (p < 0.001) and this persisted after sensitivity/supplemental analyses (all p < 0.001). Differences in DSS with decreasing levels of nadir testosterone were not statistically significant in the primary analysis. Sensitivity/supplemental analysis showed better DSS with decreasing level of nadir testosterone (Days 1–262, p = 0.01; combined groups Days 1–518, p = 0.03; combined groups Days 1–262, p = 0.005).

Conclusion

Low nadir testosterone achieved during treatment with the LHRH agonist triptorelin was associated with improved OS and DSS in patients with advanced prostate cancer.
Review recent court rulings involving termination
Authors: Lyerly Eric
Published: January 2024

An overview of the key topics faced by higher education professionals with citations to noteworthy cases, statutes, regulations, and additional sources.
Patient perspectives of weight stigma across the cancer continuum: A scoping review
Authors: Hawley Nanako , Green Jennifer , Ahlich Erica , Hauff Caitlyn , Hermer Janice , Skiba Meghan B. , James Dara L. , Nash Sarah H.
Published: January 2024

Background

Weight stigma has been defined as the social devaluation and denigration of individuals because of their weight. The purpose of this scoping systematic review was to assess and understand patient experiences with weight stigma in the cancer care setting.

Methods

We conducted a systematic scoping review of studies examining shame, prejudice, bias, and stigma in relation to weight and cancer‐related care using five databases: PubMed, CINAHL Plus Full Text (ProQuest), Cochrane Library, PsycINFO (EBSCO), and Scopus. Articles were uploaded into Covidence for de‐duplication and screening. Included studies were peer reviewed, reported adult patient experiences in cancer‐related care, and were published in English between October 2012 and February 2023. Study characteristics and key findings were abstracted and qualitatively synthesized.

Results

Publications meeting inclusion criteria yielded five studies (n = 113 participants). Most focused on the experiences of women (n = 4) and cancers which predominantly impact women (i.e., breast, cervical, endometrial; n = 4). All stages of the cancer continuum were included with studies examining screening (n = 2), treatment (n = 1), and post‐treatment survivorship (n = 2). Weight discrimination was discussed in four studies and weight‐biased stereotypes were discussed in three studies. Experiences of weight bias internalization were reported in four studies. One study described an instance of implicit weight bias.

Conclusions

Limited studies examine patient experiences of weight stigma in cancer care; however, current evidence suggests that patients do experience weight stigma in cancer‐related care. This review highlights critical gaps and a need for more research on the prevalence and impact of weight stigma in cancer screening and care.
Oral manifestation as the only sign of Langerhans cell histiocytosis: A case report
Authors: Nazemisalman Bahareh , Zarabadi Mobina Sadat
Published: January 2024

Key Clinical Message

The manifestations of Langerhans cell histiocytosis can be limited in the oral cavity, including gingival recession, tooth mobility, and bone destruction. Dentists play a crucial role in the early detection and management of these oral symptoms, which can significantly impact the overall prognosis and quality of life for patients with this serious disease.

The hyperplastic activity of bone marrow can lead to excessive histocyte proliferation, called Langerhans cell histiocytosis (LCH). Based on the accumulation location, it has various organ involvement, including skin, bone, and so forth. Oral manifestations such as tooth involvement, bone lesions, mucosal ulcers, and periodontal problems can occur, and they might be the only manifestation of LCH. A subtle diagnosis is crucial and can be started with dental examinations. A 5‐year‐old girl was examined with the chief complaint of gingival recession with no pain, caries, or calculus. The clinical and radiographical assessment led to further immunohistochemical (IHC) evaluations. The diagnosis was LCH based on S‐100 and cluster of differentiation 1a (CD1a) markers. LCH can involve different cells and tissues locally or generally. The early detection and treatment of LCH increase children's survival rate and quality of future life. Therefore, an accurate diagnosis is important among dentists. They must consider that abnormal mobility, gingival, or periodontal problems with no logical cause might warn about a latent problem. Sometimes extraction of loose teeth is not the end of treatment; it is the start of neglecting a serious disease.
First‐Row Transition‐Metal Complexes with Tetra‐Amido Macrocyclic Ligands for Water and C(sp3)−H Bond Oxidation: Performance Benchmarking Using Free Energy Relationships
Authors: Lin Chien‐Wen , Chuang Yu‐Wei , Lu Kuan‐Yu , Wang Yu‐Heng
Published: January 2024

The catalytic oxidation of water and C(sp3)−H bonds enables the conversion of solar/electrochemical energy into chemical energy and alcohol fuel production, respectively, and therefore plays important roles in energy conversion/storage. These transformations are typically catalyzed by the highly active complexes of the earth‐abundant first‐row transition metals (Mn, Fe, Co, Ni, and Cu) with tetra‐amido macrocyclic ligands (TAMLs), although the related kinetics and thermodynamics remain underexplored. This review uses free energy relationships between kinetic and thermodynamic descriptors as normalized metrics to benchmark/compare these TAML‐based catalysts and assess the advances in their development.
An Ionic Liquid‐Based Gel Electrolyte: Formation Mechanism and Feasibility for Lithium Metal Batteries
Authors: Gu Yu , Chen Hao‐Ning , Wang Wei‐Wei , Yan Hao , Yan Jia‐Wei , Mao Bing‐Wei
Published: January 2024

Quasi‐solid‐state electrolytes (QSSEs) based on ionic liquids are recognized as one of the frontrunners of electrolytes for ensuring the safety and high energy density of next‐generation lithium batteries. However, the incapacity of such systems to meet the performance demands of batteries is significantly subject to the properties of the electrolyte and the intricacies of related interfacial processes. Recently, we have designed a high‐performing pyrrolidinium bis(trifluoromethylsulfonyl)imide (Py14TFSI) based QSSE (Py‐Gel), with introducing LiBF4 and LiCl, which served as a system for probing the dynamic Li deposition mechanism. Herein, we focus on understanding the mechanisms of Py‐Gel formation and examining the chemistry and structure as well as the properties of the solid‐electrolyte interphases (SEIs) formed in the Py‐Gel and their influences on Li deposition. Spectroscopic characterizations suggest the existence of a cross‐linked structure in Py‐Gel, for which multiple intermolecular/intramolecular hydrogen bondings and ionic coulumbic interactions among Py cations, TFSI− anions, and Li salts are responsible. The Py‐Gel electrolyte exhibits exceptional electrical properties at room temperature. Different SEIs are prepared in the Py‐Gel via electrochemical protocols to elucidate that the synergy between a well‐featured electrolyte and an outstanding SEI is vital for stable cycling of Li metal anodes in such a QSSE.
The difference of model robustness assessment using cross‐validation and bootstrap methods
Authors: Lasfar Rita , Tóth Gergely
Published: January 2024

The validation principles on Quantitative Structure Activity Relationship issued by Organization for Economic and Co‐operation and Development describe three criteria of model assessment: goodness of fit, robustness and prediction. In the case of robustness, two ways are possible as internal validation: bootstrap and cross‐validation. We compared these validation metrics by checking their sample size dependence, rank correlations to other metrics and uncertainty. We used modeling methods from multivariate linear regression to artificial neural network on 14 open access datasets. We found that the metrics provide similar sample size dependence and correlation to other validation parameters. The individual uncertainty originating from the calculation recipes of the metrics is much smaller for both ways than the part caused by the selection of the training set or the training/test split. We concluded that the metrics of the two techniques are interchangeable, but the interpretation of cross‐validation parameters is easier according to their similar range to goodness‐of‐fit and prediction metrics. Furthermore, the variance originating from the random elements of the calculation of cross‐validation metrics is slightly smaller than those of bootstrap ones, if equal calculation load is applied.
Self‐immolation Assisted Morphology Transformation of Prebiotic Lipidated‐cationic Amino Acids: Electro‐droplet Mediated C−C Coupling Reaction to Synthesize Macromolecules
Authors: Hazra Bibhas , Mandal Raki , Sahu Jayati , Das Subrata , Prasad Mahesh , Tarafdar Pradip K.
Published: January 2024

Compartmentalization protected biomolecules from the fluctuating environments of early Earth. Although contemporary cells mostly use phospholipid‐based bilayer membranes, the utility of non‐bilayer compartments was not ruled out during the prebiotic and modern eras. In the present study, we demonstrated the prebiotic synthesis of lipidated cationic amino acid‐based amphiphiles [lauryl ester of lysine (LysL); ornithine (OrnL); and 2,4‐diamino butyric acid (DabL)] using model dry‐down reaction. These amphiphiles self‐assemble into micellar membranes. However, the OrnL and DabL‐based micelles undergo pH‐responsive transformation to lipid droplet‐like morphologies, a modelcompartment in the prebiotic Earth. These cationic droplets encapsulated prebiotic molecules (isoprene) and assisted electron transfer reaction to synthesize isoprenoid derivatives at primitive Earth conditions. The self‐assembly of prebiotic amphiphiles, their transformation to droplet compartments, and droplet‐assisted C−C bond formation reaction might have helped the evolution to synthesize various biomolecules required for the origin of life.
Aptamer Clicked Poly(ferrocenylsilanes) at Au Nanoparticles as Platforms with Multiple Function[†]
Authors: Halmagyi Tibor G. , Alsharif Nizar B. , Berkal Mohamed A. , Hempenius Mark A. , Szilagyi Istvan , Vancso G. Julius , Nardin Corinne
Published: January 2024

Aptamers are widely used in biosensing due to their specific sensitivity toward many targets. Thus, gold nanoparticle (AuNP) aptasensors are subject to intense research due to the complementary properties of aptamers as sensing elements and AuNPs as transducers. We present herein a novel method for the functional coupling of thrombin‐specific aptamers to AuNPs via an anionic, redox‐active poly(ferrocenylsilane) (PFS) polyelectroyte. The polymer acts as a co‐reductant and stabilizer for the AuNPs, provides grafting sites for the aptamer, and can be used as a redox sensing element, making the aptamer‐PFS‐AuNP composite (aptamer‐AuNP) a promising model system for future multifunctional sensors. The aptamer‐AuNPs exhibit excellent colloidal stability in high ionic strength environments owing to the combined electrosteric stabilizing effects of the aptamer and the PFS. The synthesis of each assembly element is described, and the colloidal stability and redox responsiveness are studied. As an example to illustrate applications, we present results for thrombin sensitivity and specificity using the specific aptamer.
Continuous Direct Mechanocatalytic Suzuki‐Miyaura Coupling via Twin‐Screw Extrusion
Authors: Chantrain Viviene , Rensch Tilo , Pickhardt Wilm , Grätz Sven , Borchardt Lars
Published: January 2024

This work establishes the first direct mechanocatalytic reaction protocol within an extruder, focusing on the Suzuki‐Miyaura reaction. Through the coating of either the extruder screws or barrel with Pd, we executed the cross‐coupling reaction without the reliance on molecular catalyst compounds or powders, and solvents continuously. We identified the influence and interplay of crucial reaction parameters such as temperature, mechanical energy input, residence time, rheology, and catalyst contact time and finally obtained 36 % and 75 % of the reaction product after one and four reactor passes respectively.
Tumor mutation load better predicts the prognosis of patients treated with immune checkpoint inhibitors in upper gastrointestinal cancers: A systematic review and meta‐analysis
Authors: Ma Chenghao , Teng Qiong , Shang Liang , Du Fengying , Li Leping
Published: January 2024

Background

Tumor mutational load (TML) has emerged as a potential biomarker for multiple solid tumors. However, data on its prognostic impact on upper gastrointestinal (UGI) cancer are limited. Therefore, the aim of this systematic review and meta‐analysis was to assess the prognostic value of TML for the survival of patients with UGI cancer.

Method

A comprehensive search of the PubMed, Embase, Cochrane Library, and Web of Science databases was conducted up to February 13, 2023. Eleven studies met our inclusion criteria. Hazard ratios (HRs) for progression‐free survival and overall survival and their 95% confidence intervals (CIs) were calculated. Subsequently, the combined HR and its 95% CI were calculated for UGI tract cancers in the high and low TML groups. I2 statistics and p‐values were used to evaluate heterogeneity. Publication bias, sensitivity, and subgroup analyses were performed to determine sources of heterogeneity.

Results

In total, 932 patients with UGI tract cancer from 11 publications were included. The high TML group treated with immunotherapy showed significantly improved overall survival (HR = 0.68; 95% CI: 0.53, 0.86; p = .001) and progression‐free survival (HR = 0.74; 95% CI: 0.58, 0.95; p = .020) compared with the low TML group.

Conclusion

Our study demonstrated that patients with UGI tumors and higher TML have a better prognosis with immunotherapy, suggesting that TML is a promising predictive biomarker for immunotherapy.

Registration

The study protocol was registered with the International Prospective Register of Systematic Reviews (PROSPERO Registration No: CRD42023405596).
Preparation of biochars by conventional pyrolysis of herbal waste and their potential application for adsorption and energy purposes
Authors: Gęca Marlena , Wiśniewska Małgorzata , Nowicki Piotr
Published: January 2024

The nettle, sage, mint and lemon balm herbs were used for biochars preparation. The physicochemical parameters of obtained materials were related to the lignocellulose composition of the precursors. It has been proved that the content of mineral substance has a significant influence on development of surface area, whereas the amount of hemicellulose affects the content of surface functional groups. It has been also shown that the obtained biochars are characterized by great energy parameters. The higher heating values (HHV) of the carbonaceous materials are comparable to the typical energy sources. The greatest HHV value (20.36 MJ/kg) was characteristic for the biochar obtained by pyrolysis of the lemon balm. In addition, the biochars were used for ionic polymers adsorption from one‐ and two‐components solutions. Despite the adsorbed amounts of macromolecules are not great is has been proved that polyethylenimine and polyacrylic acid have positive influence on their mutual adsorption.
Effect of NO2 on N2O production and NOx emission reduction in NH3 Selective Catalytic Reduction
Authors: Lv Heyin , Li Shilong , Yang Miansong , Liu Mingshun , Li Zhijun
Published: January 2024

With the introduction of increasingly strict emission regulations, reducing nitrogen oxide (NOx) emissions and nitrous oxide (N2O) production from diesel engines have become the focus of research. At high temperature, the reaction of NO2 in the catalyst generates the intermediate product NH4NO3, which first crystallizes below 300 °C. These crystals tend to block the pores and inhibit the reaction. Subsequently, N2O is produced through the decomposition of NH4NO3, leading to additional pollution. Therefore, the concentration of NO2 has a direct impact on both the NOx conversion efficiency and the generation of N2O, requiring consideration of the optimal proportion of NO2 in SCR. Considering these two factors, it is concluded that the optimal amount of NO2 varies with temperature. To improve the NOx conversion rate of the Cu‐SSZ‐13 catalyst at low temperatures and reduce N2O generation, the optimal NO2 ratio of the Cu‐SSZ‐13 catalyst under various operating conditions is studied using numerical simulations. As the temperature rises, the optimal NO2/NOx ratio first increases and then decreases. Under the optimal NO2/NOx ratio, the NOx conversion rate significantly increases, while N2O generation decreases considerably. The optimal NO2/NOx ratio also provides suggestions for the optimization of the DOC‐DPF‐DCR system.
Design and Construction of a Designed Ankyrin Repeat Protein (DARPin) Display Library
Authors: Morselli Marco , Holton Thomas R. , Pellegrini Matteo , Yeates Todd O. , Arbing Mark A.
Published: January 2024

Protein display systems are powerful techniques used to identify protein molecules that bind with high affinity to target proteins of interest. The initial challenge in implementing a display system is the construction of a high‐diversity naïve library. Here, we describe the methods to generate a designed ankyrin repeat protein (DARPin) display library using degenerate oligonucleotides. Specifically described is the construction of a single DARPin repeat module by overlap extension PCR, concatenation of the module by restriction enzyme digestion and ligation, and incorporation of the concatenated modules into a full‐length DARPin sequence in a bacterial cloning or display vector containing the hydrophilic N‐ and C‐terminal capping domains. Protocols for PCR amplification of DARPin sequences to estimate diversity of naïve and enriched libraries via next‐generation sequencing are included, as is a simple Linux‐based program for analysis of naïve and enriched sequences. © 2024 The Authors. Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Generation of a single DARPin repeat by overlap extension PCR

Basic Protocol 2: Concatenation of DARPin repeats

Basic Protocol 3: Ligation of internal repeats into cloning/display vector containing N‐ and C‐terminal capping repeats

Basic Protocol 4: Estimation of library size and diversity by next‐generation sequencing (NGS)

Basic Protocol 5: NGS analysis of naïve and enriched libraries
Questing for High‐Performance Electrocatalysts for Oxygen Evolution Reaction: Importance of Chemical Complexity, Active Phase, and Surface‐Adsorbed Species
Authors: Li Weiwei , Zhang Hengzhong
Published: January 2024

Rational design of advanced electrocatalysts for oxygen evolution reaction (OER) is of vital importance for the development of sustainable energy. Entropy engineering is emerging as a promising approach for the design of efficient OER electrocatalysts. However, other multi‐anion/cation electrocatalysts with compositional complexity, particularly the medium‐entropy and other non‐equimolar cation/anion complex electrocatalysts, have not received noteworthy attention. In this perspective, we review and highlight the importance of compositionally complex catalysts and propose a concept of chemical complexity to correlate the OER catalytic activity with the contributions from the pairwise cation‐anion interactions. Then, we offer a new view on the active catalytic sites being the hydroxylated reacting interface in an alkaline solution. Further, we argue that the common discrepancies between computationally predicted OER activities and experimental results stem from lack of considerations of surface‐adsorbed species in modeling the active catalytic phases or sites. This perspective would facilitate achieving a renewed and profound understanding of the OER mechanism and promote efficient design of OER electrocatalysts for renewable energy conversion and storage.
Syntheses and Characterizations of Naphtho‐rhenafuran Complexes with S0 and T0 States
Authors: Zhan Liyan , Wang Yarong , Sun Caobo , Tang Junping , Zhao Yue , Zhou Yan , Li Yang , Yu Limei , Bai Wei
Published: January 2024

Reactions of o‐alkyl naphthol compounds with ReCl3(PMePh2)3 produced naphtho‐rhenafuran complexes, which adapted different ground states (singlet S0 and triplet T0). These polycyclic structures have been characterized experimentally and theoretically. Their electronic behaviors have been studied by UV‐Vis absorption and DFT calculations.
An extended generalized conditional intensity measure method for aftershock ground motion selection
Authors: Xu Ming‐Yang , Lu Da‐Gang
Published: January 2024

This study proposes an extended generalized conditional intensity measure (EGCIM)‐based approach to selecting aftershock ground motions that match the target aftershock EGCIM distributions. The main purposes of the proposed methodology are threefold: (a) to consider the multiple characteristics of aftershock ground motions (e.g., amplitude, frequency contents, cumulative effects, and duration), (b) to account for the correlations between mainshocks (MS) and aftershocks (AS) as well as cross‐correlations between AS IMs, and (c) to associate with the conventional mainshock GCIM approach to enforce mainshock‐consistency for practical applications. For these purposes, three components of the EGCIM methodology for aftershock ground motion selection are utilized: (1) the multivariate aftershock EGCIM distributions of any vector of aftershock intensity measures (IMs) are constructed conditioned on two MS‐AS IMs, (2) the correlations between mainshocks and aftershocks as well as the cross‐correlations between AS IMs are considered, and (3) the random realizations of aftershock IMs are generated as a target using the aftershock EGCIM distributions to select aftershock ground motions from the specific database. The proposed methodology is applied to a case study in the LPCC station in New Zealand, whose aftershock EGCIM distributions of the considered 18 IMs are constructed for the case scenario. Among them, the correlations between mainshocks (MS) and aftershocks (AS) as well as the cross‐correlations between AS IMs are determined using the total residuals (epsilons) based on 662 real MS–AS ground‐motion pairs. Several examples are then discussed to illustrate the application of the proposed aftershock EGCIM approach, including the comparison of the aftershock acceleration spectrum with the ASK14 model and the effects of different components of the aftershock IM weight vector. Then, the proposed approach is compared with the conventional aftershock synthesis methods. It is observed that the conventional methods perform biased representations of different aftershock characteristics, of which the limitations are improved in the proposed approach. Moreover, a sensitivity study is performed for a typical midrise structure to investigate the effects of aftershock ground motion selection on the aftershock fragility analysis. The results indicate that the selection of aftershock records considering different AS characteristics has a notable impact on the aftershock fragility assessment. The uncertainties associated with record‐to‐record variations in aftershock fragility analysis can be effectively reduced by using the proposed selection approach that incorporates the comprehensive ground motion characteristics. The findings in this study promote the extension of the existing methods for aftershock ground motion selection, which can be applied to structural design or seismic risk analysis considering the aftershock effects.
Classifying types of gully changes with unoccupied aircraft vehicles 3D multitemporal point clouds for training of satellite data analysis in Northwest Namibia
Authors: Vallejo Miguel , Castillo Carlos , Zahs Vivien , Bubenzer Olaf , Höfle Bernhard
Published: January 2024

The development of standardised data acquisition strategies and analytical workflows is crucial to quantify gully changes. In this study, we explore synergies between unoccupied aircraft vehicles (UAV) and satellite remote sensing in order to classify gully morphodynamics. Using Time Series Forest (TSF) and the Sentinel‐1 radar backscatter coefficient (σo), gully scenarios can be classified into four categories: gully topographical change, no change outside gully, no change inside gully, and non‐topographical change. In addition, a Random Forest (RF) classification is performed employing individual features obtained from elevation models and temporally aggregated datasets. Training data are generated from multitemporal UAV‐borne photogrammetric point clouds through a manual segmentation of different gullies in Namibia. This information is transferred from point clouds (sub‐m) to satellite imagery (10 m) generating training data at Sentinel‐1 pixel level. Results indicate that the TSF (on the σo Vertical‐Vertical polarisation) and RF (on temporally aggregated features) perform best when training and testing areas are located within the same geographical extent. Both approaches yield similar Total Accuracy (TA ≈ 79%–80%) and Cohen's Kappa value (Kappa ≈ 0.7), but TSF achieves superior Producer Accuracy (PA = 78.5%) and User Accuracy (UA = 84.6%) for the gully topographical change class. Additionally, the utilisation of TSF in Vertical‐Vertical polarisation is the most effective method if the testing and training areas are in different geographical locations, allowing gully identification with TA > 80% and Kappa = 0.49. However, this method presents limitations to precisely delineate the change types, as dynamics are rain‐driven and therefore are geographically related. In summary, by combining the complementary benefits of UAV‐based and satellite‐based solutions, this study opens a line of research for the study and classification of surface land dynamics and geomorphological feature extraction in regional extents.
Technological Trends Driving Utility Residential Energy Efficiency Program Savings
Authors: Peterson Ted
Published: January 2024

In 2023, with increasingly broad adoption of conventional utility energy efficiency programs such as rebates or customer incentives on water heaters, furnaces, and home insulation levels, new and next‐generation energy efficiency programs will likely involve increasingly connected devices and technological interventions. This article identifies four technological trends driving utility residential energy efficiency programs for the future. These trends include: (1) home energy reports (or comparative usage efficiency reports); (2) connected reinforced programs including utility pledge programs and demand response programs; (3) smart thermostats; and (4) smart lighting. This article indicates that ultimately, greater convergence around technology is likely to persist given utility investment in Automated Meter Integration (AMI) systems and broader customer‐driven technological adoption. Ultimately, this article advocates for continued broad‐based adoption of these programs to save energy and mitigate the impacts of climate change.
Redefining the Regulatory Compact
Authors: DeCotis Paul A.
Published: January 2024

Over the past three decades, utility regulators have increasingly strayed from traditional methods of setting utility revenue requirements to improve performance, help achieve public policy goals, and reduce costs. Under the traditional regulatory compact, utilities are allowed to collect revenues from customers sufficient to cover the costs of providing services. This includes recovery of all operating costs, power purchase costs and other pass‐throughs, and return of and on investment necessary to maintain safe and reliable service to all customers regardless of size, type, or demands they place on the system. And utility services are to be provided at a fair and reasonable cost, as determined by regulators.
Wrist‐worn accelerometers: Influence of decisions during data collection and processing: A cross‐sectional study
Authors: Eke Helén , Bonn Stephanie E. , Trolle Lagerros Ylva
Published: January 2024

Background and Aims

Accelerometers collect data in an objective way, however, a number of decisions must be done during data collection, processing and output‐interpretation. The influence of those decisions is seldom investigated, reported, or discussed. Herein, we examined the influence of different decisions on the outcomes: daily minutes of moderate‐to‐vigorous physical activity (MVPA), inactivity and light physical activity (LPA).

Methods

In total, 156 participants wore an accelerometer (ActiGraph wGT3X‐BT) on their nondominant wrist for 7 days. Data collection was conducted from February 2017 to June 2018. Data was processed using the R‐package GGIR and default settings were compared to by‐the‐literature‐suggested options. The output was examined using paired t‐tests.

Results

When comparing two commonly used MVPA‐cut‐points, default and Hildebrand et al. we found a marginal difference (0.4 min, 1.0%, p < 0.001) in MVPA/day. When no bout criteria for MVPA/day was applied, MVPA/day was twice as high as bouted MVPA/day. Further, when we changed the epoch‐length from 5 to 1 s, statistically significant changes were seen for MVPA/day (−6.6 min, 19%, p < 0.001), inactivity/day (−22 min, 3.0%, p < 0.001) and LPA/day (28 min, 81%, p < 0.001).

Conclusion

Decisions made during data processing of wrist‐worn accelerometers has an influence on the output and thus, may influence the conclusions drawn. However, there may be situations when these settings are changed. If so, we recommend examining if the variables of interest are affected. We encourage researchers to report decisions made during data collection, processing and output‐interpretation, to facilitate comparisons between different studies.
Design and optimization of ground‐coupled refrigeration heat exchanger in Dubai: Numerical approach
Authors: Kahwaji Ghalib Y. , Capuano Davide , Boudekji Giada , Samaha Mohamed A.
Published: January 2024

Ground‐coupled heat exchangers (GCHE) have received significant attention over several decades as a result of increasing the world's energy demand and the need for reducing fossil fuels consumption. Prior studies have demonstrated the effectiveness of utilizing GCHE with refrigeration and heating systems. However, optimizing the performance of GCHE coupled with chillers for heat rejection, especially in extreme hot‐humid climates (where cooling towers are not very effective) is lacking in the literature. In this work, a ground borehole fitted with a coaxial‐tubes heat exchanger (BHE) is numerically simulated. Based on a wide range of data collected for the soil of Dubai, its real in situ thermophysical properties are characterized. The soil's upper layer thickness is relatively small and dry that operates in conduction mode, while the lower one is water‐saturated that works in coupled conduction‐advection mode. The study aims at optimizing the parameters advancing heat rejection into ground considering the actual properties of the soil of Dubai. The results indicate that the more feasible high‐density polyethylene pipes can perform as good as the steel ones. Also, a great finding based on the presented novel design is that insulating the inner pipe can increase the temperature duty by 55%. The proposed design of BHE is relatively inexpensive, more feasible and efficient, which is achieved for the first time based on a deep analysis of Dubai climate and soil. This makes the technology ready to be implemented for industrial applications in Dubai and other regions having a similar climate and soil nature.
Pre‐diagnostic circulating resistin concentrations and mortality among individuals with colorectal cancer: Results from the European Prospective Investigation into Cancer and Nutrition study
Authors: Pham Thu Thi , Nimptsch Katharina , Aleksandrova Krasimira , Jenab Mazda , Fedirko Veronika , Wu Kana , Eriksen Anne Kirstine , Tjønneland Anne , Severi Gianluca , Rothwell Joseph , Kaaks Rudolf , Katzke Verena , Catalano Alberto , Agnoli Claudia , Masala Giovanna , De Magistris Maria Santucci , Tumino Rosario , Vermeulen Roel , Aizpurua Amaia , Trobajo‐Sanmartín Camino , Chirlaque María‐Dolores , Sánchez Maria‐Jose , Lu Sai San Moon , Cross Amanda J. , Christakoudi Sofia , Weiderpass Elisabete , Pischon Tobias
Published: January 2024

Resistin is a protein involved in inflammation and angiogenesis processes and may play a role in the progression of colorectal cancer (CRC). However, it remains unclear whether resistin is associated with increased mortality after CRC diagnosis. We examined pre‐diagnostic serum resistin concentrations in relation to CRC‐specific and all‐cause mortality among 1343 incident CRC cases from the European Prospective Investigation into Cancer and Nutrition cohort. For CRC‐specific mortality as the primary outcome, hazard ratios (HRs) and 95% confidence intervals (95% CI) were estimated from competing risk analyses based on cause‐specific Cox proportional hazards models and further in sensitivity analyses using Fine–Gray proportional subdistribution hazards models. For all‐cause mortality as the secondary outcome, Cox proportional hazards models were used. Subgroup analyses were performed by sex, tumor subsite, tumor stage, body mass index and time to CRC diagnosis. Resistin was measured on a median of 4.8 years before CRC diagnosis. During a median follow‐up of 8.2 years, 474 deaths from CRC and 147 deaths from other causes were observed. Resistin concentrations were not associated with CRC‐specific mortality (HRQ4vsQ1 = 0.95, 95% CI: 0.73–1.23; Ptrend = .97; and HRper doubling of resistin concentration = 1.00; 95% CI: 0.84–1.19; P = .98) or all‐cause mortality. Results from competing risk (sensitivity) analysis were similar. No associations were found in any subgroup analyses. These findings suggest no association between pre‐diagnostic circulating resistin concentrations and CRC‐specific or all‐cause mortality among persons with CRC, and the potential insignificance of resistin in CRC progression.
Simplifying the use of the Kiwi vacuum
Authors: Skehan Mark
Published: January 2024

A simplified and easily teachable method of performing Kiwi vacuums is described. The Kiwi Omnicup has several features which make it the ideal instrument for correcting malposition. Once the correct position of the fetus is ascertained using ultrasound, it is always possible to maneuver the cup over the flexion point. A retrospective study was undertaken of 239 consecutive patients in the author's private practice requiring assisted delivery from 2010 until 2016. No case was declined. Successful Kiwi vacuum delivery was achieved in 233 cases (98%) and complication rates were low.