bluuebunny/crossref_metadata_2025 huggingface dataset:
Analysis of biomass as a feedstock in a chemical looping‐based polygeneration process for CO2 valorization
Authors: Pankhedkar Nimish , Sunkara Sushma , Dwivedi Abhishek , Gudi Ravindra , Biswas Pratim , Bhargava Suresh
Published: February 2025

From the viewpoint of circular economy, the utilization of biomass as a preferred feedstock for power generation with carbon capture has become prevalent. Biomass utilization leads to a carbon‐neutral balance by leveraging its inherent carbon that was absorbed from the atmosphere. While chemical looping combustion (CLC) is a promising carbon capture technology for solid fuels such as coal, this paper further explores the feasibility of using biomass in CLC along with valorization of CO2 to valuable chemicals. A polygeneration approach utilizing biomass has been proposed to produce power and value‐added chemicals (methanol and dimethyl ether [DME]), thus yielding an integrated CO2 capture and utilization system. Biomass has a significant amount of oxygen and a higher H:C ratio than conventional fuels like coal. The effect of the same has been analyzed by assessing biomass as a feedstock in the proposed process and evaluating the effect of higher oxygen content towards the objective of CO2 valorization relative to that of coal. Furthermore, a comparative discussion of the suitability of biomass compared to coal from a valorization perspective has been presented. Detailed techno‐feasibility analysis on the schemes and optimization studies to maximize the performance of the system in terms of energetics, CO2 mitigation, and profitability has been conducted. From the analysis, it has been identified that the utilization of biomass as a feedstock in CLC‐based processes results in higher chemical production rates and higher profits with lesser CO2 emissions than coal. The above analysis and evaluation has been carried out through simulations using Aspen Plus® software.
Two‐step Reduction Pathway of Copper(II) by Oleylamine for the Nucleation of Cu(0) Nanoparticles: a Joint Modelling and Experimental Study
Authors: Guillaumont Maya , Halbert Stéphanie , Freitas Alexy P. , Briois Valérie , Carenco Sophie , Gérard Hélène
Published: February 2025

Oleylamine is widely used in the synthesis of colloidal nanoparticles, as a solvent, as a stabilizing agent, and sometimes as a reducing agent. For example, metallic nanoparticles are obtained through reduction when Ni(II) and Pd(II) precursors are used or through disproportionation in the case of Ni(I) or Co(I). A similar dichotomy is observed for Cu precursors, with an additional complexity due to the nature of the precursor salt. In the present article, we report a combined DFT evaluation of possible reduction paths for Cu(II) and Cu(I) reduction by oleylamine, including the competition with Cu(I) disproportionation, and X‐ray absorption spectroscopy monitoring of the oxidation state of copper(II) acetylacetonate in oleylamine. We show that the reduction of copper(II) acetylacetonate goes through a two‐steps process, with the intermediate formation of Cu(I) complexes. The role of phosphine ligands is demonstrated as well as the relevance of these findings in case alternative Copper sources such as copper halogen salts.
127I Solid‐State NMR Spectroscopy of Organic Periodates Featuring Halogen Bonded IO4− ⋅ ⋅ ⋅ IO4− Adducts
Authors: Beccaria Roberta , Pizzi Andrea , Resnati Giuseppe , Bryce David L.
Published: February 2025

Hydroxyanions and oxyanions can overcome electrostatic repulsion between like charges to form supramolecular architectures whose formation is driven by non‐covalent interactions such as hydrogen bonds and halogen bonds (HaB). We report here a 127I solid‐state nuclear magnetic resonance (SSNMR) study of a series of six organic periodates including compounds which feature I ⋅ ⋅ ⋅ O HaB between pairs of IO4− anions and control samples which do not feature HaB. 127I SSNMR spectra of powdered samples acquired under stationary conditions at 9.4, 11.7, and 21.1 T are simulated using an exact diagonalization of the Zeeman‐quadrupolar Hamiltonian to provide the isotropic chemical shift, 127I nuclear quadrupolar coupling constant (CQ), and quadrupolar asymmetry parameter for each compound. One of the HaB compounds, 4‐(pyrrolidin‐1‐yl)pyridinium periodate, is characterized by the largest CQ(127I) value measured to date for a periodate anion, 52.70 MHz. Control organic periodates which do not have HaBs have CQ(127I) values that are much lower than those seen in the halogen‐bonded systems, thereby easily differentiating between these two sets of compounds. The CQ(127I) values for those compounds featuring only halogen‐bonded periodate anions correlate with the shear strain of the anion, which may be attributed to the influence of the HaB on the local geometry. More rigorous correlations between structure and the 127I NMR data are confounded by the presence of dynamics in some of the samples.
Investigation of CoB/SBA‐15 Catalyst for Efficient Hydrogen Generation via Sodium Borohydride Hydrolysis
Authors: Yu Hao , Tshimanga Mukendi Archip , Tshimanga Tshimanga Landry Wa , Gao Meng
Published: February 2025

Hydrolysis of NaBH4 has garnered great concern in the production of hydrogen. Four different cobalt loadings (5 wt.%, 10 wt.%, 12.5 wt.% and 15 wt.%) were impregnated on SBA‐15 molecular sieve. The effect of Co loading on the catalytic performance of the CoB/SBA‐15 catalysts for NaBH4 hydrolysis using the drainage method was studied. Characterizations using XRD, SEM, XPS, and N2 adsorption‐desorption were analytically conducted to examine the physiochemical properties of the CoB/SBA‐15 catalyst. The catalytic activity test revealed that the optimum Co loading was 10 wt.% at which the maximum rate of hydrogen production was 153.0 mL/min⋅gcat, higher than the other samples. In addition, the effect of Co loaded, catalyst amount, and temperature were examined. Furthermore, the stability of the catalyst was maintained after five cycles. Cobalt‐based catalysts are a promising catalytic system for hydrogen generation by hydrolysis of NaBH4.
Phenoxazinone Synthase‐Like Catalytic Activity of Bi‐ and Trinuclear Copper(II) Complexes with 2‐Benzylethanolamine: Experimental and Theoretical Investigations
Authors: Nesterova Oksana V. , Bondarenko Olena E. , Pombeiro Armando J. L. , Nesterov Dmytro S.
Published: February 2025

The self‐assembly reaction of 2‐benzylaminoethanol (Hbae) with CuCl2 or Cu(NO3)2 leads to the formation of binuclear [Cu2(bae)2(Cl)2] (1) and [Cu2(Hbae)2(bae)2](NO3)2 (2) complexes, while the trinuclear [Cu3(Hbae)2(bae)2(dmba)2](NO3)2 (3) compound was obtained using the auxiliar bulky substituted 2,2‐dimethylbutyric acid (Hdmba). Crystallographic studies reveal the molecular structures of 1 and 2 based on the similar {Cu2(μ‐O)2} core, while the structure of 3 features the {Cu3(μ‐O)2} core with consecutive arranement of the metal centres, supported by the additional carboxylate bridges. The strong intermolecular hydrogen bonds join the molecular structures into 1D (for 1 and 3) or 2D (for 2) architectures. All three compounds act as catalysts for the aerobic oxidation of 2‐aminophenol to the phenoxazinone chromophore (phenoxazinone synthase‐like activity) with the maximum reaction rates up to 2.3×10−8 M s−1. The substrate scope involves methyl‐, nitro‐ and chloro‐substituted 2‐aminophenols, disclosing the negligible activity of nitro‐derivatives, while the 6‐amino‐m‐cresol substrate shows the highest activity with the initial reaction rate of 5.8×10−8 M s−1. The mechanism of the rate‐limiting reaction step (copper‐catalysed formation of 2‐aminophenoxyl radicals) was investigated at the DFT level. The combined DFT and CASSCF studies of the copper superoxo CuII‐OO⋅ radical species as possible unconventional reaction intermediates resulted in a rational mechanism of H‐atom abstraction, where the activation energies follow the experimental reactivity of substituted 2‐aminophenols. The TDDFT and STEOM‐DLPNO‐CCSD theoretical calculations of the absorption spectra of substrates, phenoxazinone chromophores and putative polynuclear species containing 2‐aminophenoxo ligand are reported.
Identification of stem rust resistance genes in monogenic lines derived from wheat cultivar Waldron
Authors: Klindworth Daryl L. , Sharma Jyoti Saini , Faris Justin D. , Friesen Timothy L. , Peters Haugrud Amanda R. , Xu Steven S.
Published: February 2025

The wheat (Triticum aestivum L.) cultivar Waldron carries at least six genes for resistance to stem rust caused by Puccinia graminis Pers.:Pers. f.sp. tritici Eriks. and Henn. (Pgt). The identity and map location of some of these genes are known, but there is limited knowledge of SrWld1, an important gene that conditions resistance to all North American Pgt races. Our objective was to identify and map additional stem rust resistance genes in Waldron through aneuploid analysis, allelism tests, and linkage with molecular markers. Four lines, WDR‐A1, WDR‐C2, WDR‐D1, and WDR‐E4, each carrying a single stem rust resistance gene from Waldron, were crossed to appropriate genetic stocks. Telosomic analysis failed to confirm the previously reported location of SrWDR‐C2 to chromosome 7A. Monosomic analysis, allelism tests, and multi‐pathotype seedling tests indicated that the genes in WDR‐A1 and WDR‐D1 were Sr18 and Sr9g, respectively. Telosomic analysis, allelism tests, and marker analysis of WDR‐E4 indicated that SrWld1 should be reassigned from chromosome 2A to 2BL. When families were tested with races LBBLB, TMLKC, and TPPKC, co‐segregation of resistance was not observed. This suggests that inheritance of the SrWld1 phenotype was quantitative and that additional studies are needed on the inheritance of SrWld1. When results from this study were combined with previous studies, the stem rust resistance genes in Waldron are identified as Sr9g, Sr11, Sr18, Sr41, SrWld1, and SrWld2.
Mandated Board Gender Diversity and ESG Performance: Evidence From the European “Women on Boards” Directive
Authors: Fernández‐Méndez Carlos , Pathan Shams
Published: February 2025

Using the 2022 European Union (EU) “women on boards” directive as a backdrop, we examine its wealth impact on firms in reference to their sustainability scores. Our analysis shows that investors respond positively to the EU gender quota, with a stronger effect on firms with low ESG scores. Particularly, we find that the abnormal returns on the announcement day are 0.5% higher on average for firms with weaker ESG performance, suggesting they have more to gain from the EU quota regulation. Our results reveal also that investors' expectations about the impact of the EU gender quota on ESG performance and firm value vary with differences in the institutional context across European countries. We observe more positive response in countries with strong regulatory environment characterized by high regulatory quality and strong legal enforcement and also in countries aligned with gender equality and sustainability values.
Cognitive markers for the distinction between asymptomatic and prodromal Alzheimer's disease in Down syndrome: Correlations with volumetric brain changes
Authors: García‐Alba Javier , Molanes‐López Elisa M. , Zuluaga Pilar , Bell‐Fenellos Cristina , Vaquero Lucía , Alfayate Eva , García Felipe , Mateo Gloria , Modenhauer Fernando , Galván‐Román José M. , Bajo Ricardo , Fernández Alberto
Published: February 2025

INTRODUCTION

Motivated by the difficulties in detecting cognitive deterioration in the context of Down syndrome (DS), we aimed to identify markers of prodromal Alzheimer's disease (AD) in this population.

METHODS

Sixty‐two participants with DS (age > 45) distributed in three groups (asymptomatic [ADS], prodromal [PDS], and dementia [DDS]) completed the Cambridge Examination for Mental Disorders of Older People with Down's Syndrome and Others with Intellectual Disabilities, Cambridge Cognitive Examination for older adults with Down's Syndrome, and Barcelona Test for Intellectual Disability tests and a magnetic resonance imaging scan.

RESULTS

Although temporal orientation showed significant differences among groups, only a predictive diagnostic model based on verbal short‐term memory tasks (relying on “cued” recall) allowed the correct classification of 88.5% of ADS, 75.0% of PDS, and 95% of DDS individuals. Cognitive decline strongly correlated with brain volume reductions in orbitofrontal, medial‐temporal, and bilateral thalamus within the DDS group.

DISCUSSION

Neuropsychological results showed that PDS cases were characterized by a significant deterioration of verbal memory and temporal orientation, compared to ADS. This pattern might be crucial to support diagnosis in clinical settings.

Highlights

Detecting signs of prodromal dementia is a major challenge in Down syndrome.

Such challenge is due to a poor definition of the early cognitive manifestations.

Memory tasks relying on “cued” recall allowed the detection of prodromal cases.

A pattern of temporal disorientation was also evident in the prodromal phase.

These cognitive deficits preceded volumetric brain changes only present in dementia.
Reviewing on AI‐Designed Antibiotic Targeting Drug‐Resistant Superbugs by Emphasizing Mechanisms of Action
Authors: Yönden Zafer , Reshadi Samira , Hayati Ahmad Farrokh , Hooshiar Mohammad Hossein , Ghasemi Sholeh , Yönden Hakan , Daemi Amin
Published: February 2025

The emergence of drug‐resistant bacteria, often referred to as “superbugs,” poses a profound and escalating challenge to global health systems, surpassing the capabilities of traditional antibiotic discovery methods. As resistance mechanisms evolve rapidly, the need for innovative solutions has never been more critical. This review delves into the transformative role of AI‐driven methodologies in antibiotic development, particularly in targeting drug‐resistant bacterial strains (DRSBs), with an emphasis on understanding their mechanisms of action. AI algorithms have revolutionized the antibiotic discovery process by efficiently collecting, analyzing, and modeling complex datasets to predict both the effectiveness of potential antibiotics and the mechanisms of bacterial resistance. These computational advancements enable researchers to identify promising antibiotic candidates with unique mechanisms that effectively bypass conventional resistance pathways. By specifically targeting critical bacterial processes or disrupting essential cellular components, these AI‐designed antibiotics offer robust solutions for combating even the most resilient bacterial strains. The application of AI in antibiotic design represents a paradigm shift, enabling the rapid and precise identification of novel compounds with tailored mechanisms of action. This approach not only accelerates the drug development timeline but also enhances the precision of targeting superbugs, significantly improving therapeutic outcomes. Furthermore, understanding the underlying mechanisms of these AI‐designed antibiotics is crucial for optimizing their clinical efficacy and devising proactive strategies to prevent the emergence of further resistance. AI‐driven antibiotic discovery is poised to play a pivotal role in the global fight against antimicrobial resistance. By leveraging the power of artificial intelligence, researchers are opening new frontiers in the development of effective treatments, ensuring a proactive and sustainable response to the growing threat of drug‐resistant bacteria.
Hundreds of pages removed from Education Department's website
Authors: Lyerly Eric
Published: February 2025

Shortly after President Trump's inauguration, the U.S. Department of Education removed hundreds of pages from its website. For example, press releases only dated back to Jan. 23, 2025 (https://www.ed.gov/about/news). Additionally, Special Education Action reported that content on existing pages was altered, such as the removal of “gender identity or transgender status” from the types of discrimination OCR has the authority to investigate. The website may also have removed content related to diversity, equity, and inclusion to comply with executive orders directing federal agencies to eliminate DEI‐related practices.
Quantifying large carnivore predation relative to human harvest on moose in an intensively managed boreal ecosystem
Authors: Sand Håkan , Zimmermann Barbara , Wabakken Petter , Eriksen Ane , Wikenros Camilla
Published: February 2025

The return of large carnivores to areas with strong anthropogenic impact often results in conflicts among different interest groups. One cause of conflict is that large carnivores compete with humans for wild game species. In Scandinavia, the recolonization of wolves (Canis lupus) and brown bears (Ursus arctos) has important ramifications for the harvest of an ungulate species with high economic and recreational value, the moose. We estimated wolf and brown bear predation rates on moose (Alces alces) relative to harvest, natural causes of death, and vehicle collisions within 20 wolf territories. We used data on multi‐season kill rates of wolves and brown bears on moose combined with wolf territory sizes and estimates of the population density of brown bears and moose. Wolf predation rate on moose was not related to the density of moose, wolf pack size, nor kill rate but was positively related to wolf density and strongly negatively related to the abundance of moose within wolf territories. Estimated annual wolf and brown bear predation rates averaged 8.6% (range 2.8%–16.9%) and 2.3% (range 0%–12.7%) respectively, among wolf territories, whereas estimated annual harvest rates averaged 17.5% (range 8.1%–33.1%). In wolf territories with relatively high bear densities, the combined predation rates from wolves and brown bears exceeded harvest rates. Across wolf territories, harvest rates were not related to wolf predation rates or to the combined predation rates from wolves and brown bears, indicating that large carnivore predation and harvest were not compensatory to each other at this spatial level. The recolonization of these large carnivores in the Scandinavian boreal forest ecosystem may have small to significant consequences for the sustainable management of moose populations depending on the local conditions of both wolves, brown bears, and moose. Comparison of annual mortality rates for moose in our study in Scandinavia with corresponding data from areas with lower anthropogenic impact (Alaska) shows lower total mortality rates in Scandinavia. This likely results from a different age and sex composition of moose killed by wolves and brown bears versus harvest, in combination with a significant difference in the relative importance of these mortality factors between areas.
Effects of Climate Warming on the Performance of Gynaephora alpherakii (Lepidoptera: Lymantriidae) Larvae in a Tibetan Alpine Meadow
Authors: Cao Rui , Chen Han , Zheng Kezhi , Nong Dajie , Jiang Menglei , Zhang Ziyu , Wu Xinwei , Xie Peng
Published: February 2025

The performance of invertebrate herbivores in grasslands can be influenced by climate warming, but there is a lack of experimental evidence, particularly in high elevation areas. We conducted two complementary experiments to investigate the effect of experimental warming on the performance of the grassland caterpillar Gynaephora alpherakii, a notorious pest species in the alpine Tibetan meadow. The first field experiment examined the effect of warming (nonwarmed vs. warmed) on the feeding behavior, growth, and development rate of the caterpillars. The second chamber experiment explored the relationship between temperature and caterpillar appetite, excrement mass, respiration rate, or change of caterpillar weight. Results show that warming significantly decreased fresh body mass of caterpillars by 27.5%, cocoon volume by 61.1%, and egg production per female moth by 26.9% at the end of the field experiment. Warming did not affect cocooning time but significantly increased feeding time of caterpillars during the field experimental period. The independent chamber experiment revealed a significant and positive correlation between caterpillar appetite, excrement mass, respiration rate, and temperature. However, except the first examination, there was a significant negative correlation between changes in caterpillar weight and temperature. Stepwise regression analysis indicated that excrement mass had the greatest influence on caterpillar weight. The weight loss of caterpillars to warming might thus be attributed to elevated metabolic rates at higher temperatures, and the behavioral adaptations failed to compensate for the physiological‐induced weight loss. These findings suggest that climate warming can modify the performance and thus the fitness of invertebrate herbivores in high elevation areas.
Development of Assembly Techniques for Miniaturized In‐Line Pressure Sensor by Utilizing Thin Strain Sensor for High Reliability
Authors: Ikeda Hiroshi , Kanamaru Masatoshi , Aono Takanori
Published: February 2025

High‐reliability assembly techniques for miniaturized in‐line pressure sensor with diaphragm using a thin strain sensor have been developed to monitor the hydraulic pressure in the pipetting such as dispensing devices. The pressure sensor with a thin strain sensor as a diaphragm has two problems, (i) water leakage and (ii) sensitivity reduction by adding hydraulic pressure. These problems were clarified to generate tensile stress in the adhesive (Ag paste) by adding hydraulic pressure and peeling a strain sensor from SUS housing. To overcome these problems, the stress in Ag paste was needed to keep compressive stress even when adding pressure. In this paper, a pressing mechanism is newly proposed to make compressive stress in Ag paste and assemble on the pressure sensor. First, to press the strain sensor to the SUS housing, a lid was bonded on the strain sensor with wafer‐level‐packaging (WLP) technique. Next, a pressing mechanism was designed to assemble the miniaturized pressure sensor. The pressing mechanism was composed of a cover, two coil springs, and a spring base with a pressing point. The pressing mechanism generates compressive stress to Ag paste even under high hydraulic pressure. The pressure sensor which implements the pressing mechanism has high‐pressure resistance and high reliability under the repetitive hydraulic pressure of 10 million times, without water leakage and sensitivity decrease.
Filling the Gaps: A Bayesian Mixture Model for Imputing Missing Soil Water Content Data
Authors: Ogle Kiona , Reich Emma , Samuels‐Crow Kimberly , Litvak Marcy , Bradford John B. , Schlaepfer Daniel R. , Devan Megan
Published: February 2025

Soil water content (SWC) data are central to evaluating how soil moisture varies over time and space and influences critical plant and ecosystem functions, especially in water‐limited drylands. However, sensors that record SWC at high frequencies often malfunction, leading to incomplete timeseries and limiting our understanding of dryland ecosystem dynamics. We developed an analytical approach to impute missing SWC data, which we tested at six eddy flux tower sites along an elevation gradient in the southwestern United States. We impute missing data as a mixture of linearly interpolated SWC between the observed endpoints of a missing data gap and SWC simulated by an ecosystem water balance model (SOILWAT2). Within a Bayesian framework, we allowed the relative utility (mixture weight) of each component (linearly interpolated vs. SOILWAT2) to vary by depth, site and gap characteristics. We explored “fixed” weights versus “dynamic” weights that vary as a function of cumulative precipitation, average temperature, and time since the start of the gap. Both models estimated missing SWC data well (R2 = 0.70–0.88 vs. 0.75–0.91 for fixed vs. dynamic weights, respectively), but the utility of linearly interpolated versus SOILWAT2 values depended on site and depth. SOILWAT2 was more useful for more arid sites, shallower depths, longer and warmer gaps and gaps that received greater precipitation. Overall, the mixture model reliably gap‐fills SWC, while lending insight into processes governing SWC dynamics. This approach to impute missing data could be adapted to accommodate more than two mixture components and other types of environmental timeseries.
Biphasic Graphene‐Oxide Liquid Metal Powder: Synthesis, Characterization, and Application in Energy Storage
Authors: Sanati Afsaneh L. , Silva André F. , Maranha Miguel , Tavakoli Mahmoud
Published: February 2025

Nanodroplets of Gallium‐Based Liquid Metal (LM) have applications in stretchable electronics, electrochemical sensors, energy storage, hyperthermia, and rapid polymerization. The gallium oxide layer around LMNDs prevents aggregation. However, LM nanodroplets (LMNDs) are neither mechanically nor chemically stable. The ultrathin oxide layer ruptures under slight pressure, hindering their use in stretchable electronics. The shell also dissolves in slightly acidic/alkaline solutions, making them unstable for energy storage and electrochemical sensing. We demonstrate the synthesis of a dry LM powder with an LM core and a reduced graphene oxide shell. Graphene oxide provides excellent mechanical and chemical stability and permits electrical conductivity. Its porous structure does not block ion exchange between the LM droplets and the environment, allowing LMNDs to be used in energy storage and electrochemical sensing. The resulting EGaIn powders benefit from higher surface and long‐term stability, addressing LMND limitations. We report using GO@EGaIn nanocomposite as an anode for alkali‐ion batteries in a novel Ag‐EGaIn cell with impressive energy storage capacity. The combination of liquid deformability of LMNDs, higher surface area in the nano form, and the stability of GO@EGaIn dry powder expands the applications of liquid metals in electronics and energy storage.
HCMV Variants Expressing ULBP2 Enhance the Function of Human NK Cells via its Receptor NKG2D
Authors: Meyer Greta , Siemes Anna Rebecca , Kühne Jenny F. , Bevzenko Irina , Baszczok Viktoria , Keil Jana , Beushausen Kerstin , Wagner Karen , Steinbrück Lars , Messerle Martin , Falk Christine S.
Published: February 2025

The immunosuppressed state of transplant patients allows opportunistic pathogens such as human cytomegalovirus (HCMV) to cause severe disease. Therefore, inducing and boosting immunity against HCMV in recipients prior to organ transplantation is highly desirable, and accordingly, the development of an HCMV vaccine has been identified as a clinically relevant priority. Such vaccines need to be highly attenuated while eliciting specific and protective immune responses. We tested the concept of expressing the NKG2D ligand (NKG2D‐L) ULBP2 by HCMV vaccine candidates to achieve NK cell activation, and, thereby viral attenuation. ULBP2 expression was found on HCMV‐infected cells, reflecting the promotor strengths used to drive ULBP2 transgene expression. Moreover, significantly increased shedding of soluble ULBP2 (sULBP2) was detected for these mutants mirroring the surface expression levels. No negative effect of sULBP2 on NK cell function was observed. NK cells efficiently controlled viral spread, which was further increased by additional triggering of the activating receptor NKG2D. Engagement of NKG2D was also confirmed by its downregulation depending on ULBP2 surface density. Finally, expression of ULBP2 significantly enhanced NK cell cytotoxicity, which was independent of KIR‐ligand mismatch as well as the presence of T cells. This NKG2D‐L‐based approach represents a feasible and promising strategy for HCMV vaccine development.
Recent Advances in Zinc‐Catalyzed Carbon‐Heteroatom Bond Formation
Authors: Álvarez‐Valle Julio , García‐Martínez Patricia , López Luis A. , Santamaría Javier
Published: February 2025

Zinc has been an overlooked metal in catalysis for many years. However, this situation has begun to change in the last two decades with a number of contributions demonstrating that zinc salts and complexes are able to catalyze transformations typically accomplished with catalysts based on precious transition metals. The development of such zinc‐catalyzed methodologies is highly appealing because, in general, zinc catalysts are easily available, inexpensive and less toxic. This review aims to present the most recent and relevant examples of the use of zinc catalysts in the formation of carbon‐heteroatom bonds, which is a very important process in synthetic organic chemistry.
Chemoselective Synthesis of Tetrahydropyrimidines and Dihydropyrrolidones through Three‐Component Reaction of Amines, 1,3,5‐Triazinanes, and Alkyne Esters
Authors: Wang Wen‐Kang , Zheng Jian , Zhao Sheng‐Yin
Published: February 2025

A three‐component reaction of amines, 1,3,5‐triazinanes, and alkyne esters for the construction of tetrahydropyrimidines and dihydropyrrolidones derivatives was reported. Shifting the substituent group of 1,3,5‐triazinanes led to the chemoselective synthesis. As three‐atom synthons, aryl substituted 1,3,5‐triazinanes were applied to the regioselective synthesis of tetrahydropyrimidines. Alkyl substituted 1,3,5‐triazinanes working as two‐atom synthons promoted intramolecular cyclization to generate dihydropyrrolidones analogues. The practicality of the developed methods was demonstrated by easy operation, catalyst‐free conditions, and good functional groups tolerance.
Water Mediated Chemoselective Synthesis of Novel Spiro Benzoxazinoindoline and Extended Synthesis of Spiro Benzoxazinoindene Derivatives*
Authors: Bansal Diksha , Sivaganesan Pooja , Elanchezhian Chibisree , Nataraj Gokulprasanth , Das Mrinal Kanti , Chaudhuri Saikat
Published: February 2025

Spirobenzoxazines are a unique class of heterocyclic compounds that combine the structural features of spiro and benzooxazine frameworks, offering enhanced chemical stability and diverse biological activities. Their rigid three‐dimensional structures make them ideal candidates for interacting with biological targets, contributing to their potential in various therapeutic applications, including anticancer, antimicrobial, and enzyme inhibition. However, the development of efficient and sustainable methods for the synthesis of spirobenzoxazines remains a challenge in organic synthesis. In this work, we present a novel and environmentally friendly approach for the synthesis of spirobenzoxazine derivatives. Utilizing water as a green solvent, this methodology offers an efficient and sustainable route for constructing these complex heterocyclic frameworks. By emphasizing eco‐friendly practices, this approach aligns with the principles of green chemistry, providing both high yields and operational simplicity. This advancement not only highlights the potential of spirobenzoxazines in the pharmaceutical and material sciences but also paves the way for future research in sustainable synthetic methodologies.
Fluorine‐Containing 6‐Azabicyclo[3.1.1]heptanes: Bicyclic Piperidine Analogs for Drug Discovery
Authors: Chernykh Anton V. , Liashuk Oleksandr S. , Hurieva Anastasiia M. , Lesyk Dmytro , Holota Yuliia , Borysko Petro , Shishkina Svitlana V. , Volochnyuk Dmytro M. , Grygorenko Oleksandr O.
Published: February 2025

Convenient synthetic approaches to a series of fluorinated bicyclic piperidine analogs (including 3‐fluoro‐, 3,3‐difluoro‐, 3‐carboxy‐3‐fluoro‐, and 3‐trifluoromethyl‐substituted 6‐azabicyclo[3.1.1]heptanes) were proposed. Using commercially available fluorination agents, the target building blocks were prepared in gram to decagram scale in a single run. Evaluation of pKa and LogP values revealed the importance of the fluorine‐containing substituent and methylene bridge relative disposition for the compound's physicochemical properties. Analysis of molecular structure using the exit vector plot (EVP) approach revealed negligible change in molecules conformation upon fluorination.
Development and Validation of a Short Version (PAIC6) of the Pain Assessment in Impaired Cognition Scale
Authors: Schreiber Vivien , Kunz Miriam , Achterberg Wilco , van der Steen Jenny T. , Lobbezoo Frank , Langner Bernhard , Lautenbacher Stefan
Published: February 2025

Background

Observer pain scales are commonly used to assess pain in individuals with impaired cognition. However, nursing staff have highlighted that extremely tight time schedules and increasing workload demands prevent regular use. With the development of a short version of the Pain Assessment in Impaired Cognition (PAIC15), we aimed to reduce implementation barriers in everyday clinical practice.

Methods

We developed a new 6‐item short version (PAIC6) in a first sample (N = 59) and validated its psychometric properties in a second sample (N = 250) of older individuals with cognitive impairments. The item reduction and evaluation involved four steps. First, we used Sample 1 to exclude items based on item quality statistics (e.g., difficulty, reliability). Second, the Partial Credit Model (PCM) was utilised for further reduction using again Sample 1. Third, an expert panel evaluated the preceding steps and suggested a draft short version with six items (PAIC6). Fourth, psychometric properties of the short version were evaluated in the independent Sample 2. Thereafter, the final short version was approved.

Results

The new PAIC6 showed a high correlation with the total scale PAIC15 (r = 0.870), good reliability (Cronbach's α = 0.684), and high convergent construct validity, as observed by a high correlation with the established Pain Assessment in Advanced Dementia (r = 0.602).

Conclusions

Overall, we developed a valid, reliable, and clinically valuable PAIC6 that allows a more time‐efficient pain assessment, by reducing the assessment time from 5 min to approximately 2 min (60% time saving).

Significance

Observer pain scales are commonly used to assess pain in individuals with impaired cognition. However, nursing staff have highlighted that extremely tight time schedules and increasing workload demands prevent regular use. To address this, we developed PAIC6, a short version of the Pain Assessment in Impaired Cognition 15 (PAIC15). PAIC6 includes six items and takes 2 min for completion after training, realising a 60%‐time reduction compared to the original scale while keeping the psychometric quality high.
Voltammetric Simultaneous Quantification of Lapachone Isomers In Plant Extracts Using Graphite–Epoxy Composite Electrode
Authors: Almeida Joseany M. S. , da Silva Andrea R. , Azevedo Ana Beatriz O. , Pedrozo‐Peñafiel Marlin J. , Toloza Carlos A. T. , Aucélio Ricardo Q.
Published: February 2025

The method developed for the determination of lapachone isomers (α‐ and β‐lapachones) involves the use of square wave voltammetry (SWV) with an electrode based on epoxy–graphite composite. The electrolytic aqueous solution contained a cationic surfactant (CTAB), phosphate buffer (pH 6.0), and KNO3. The addition of CTAB enhanced analyte diffusion into the electrode–solution interface, improving detection through SWV. Under chosen conditions, β‐lapachone and α‐lapachone respectively present reversible and quasireversible processes. The analytical signals were detected at the specific potentials of −370 mV (α‐lapachone) and −190 mV (β‐lapachone) using 140 s preconcentration at +400 mV. The SWV parameters used include 30 Hz frequency, 40 mV pulse amplitude, and 20 mV potential step. Instrumental detection limits were 2.4 × 10−7 mol L−1 and 1.4 × 10−7 mol L−1 respectively for α‐lapachone and β‐lapachone. Lapachol and, in a lesser extent, sulfonated β‐lapachone interfere with both analyte signals, requiring liquid–liquid extraction prior to the determination of α‐lapachone and β‐lapachone in ethanolic plant (heartwood of the Tabebuia impetiginosa) extract. The results obtained using SWV agreed with those achieved by high‐performance liquid chromatography.
Property–Performance Relationship of Waste Floral Foam‐Derived Nanoporous Carbon as Metal‐Free Oxygen Evolution Reaction and Hydrogen Evolution Reaction Electrocatalyst: Implications of N and S Doping
Authors: Pattanshetti Akshata , Chougale Prathamesh , Burud Mahesh , Kwiatkowski Miroslaw , Chavan Vijay , Kim Honggyun , Kim Deok‐kee , Sabale Sandip
Published: February 2025

Designing electrocatalysts with high‐performance potential requires a thorough investigation of the relationships between property changes and electrocatalytic activity. This study compares the effect of N‐doping and N, S‐codoping on the properties of waste floral foam derived pristine nanoporous carbon to enhance electrocatalytic activity. N, S‐codoping modulates the textural, structural, and chemical properties of pristine nanoporous carbon that are preferable to oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) performance. N, S‐codoped nanoporous carbon having a large surface area (1231 m2 g−1), higher content of defects, OH−, CO, and pyridinic N exhibits superior OER and HER activity with overpotentials 290 and −180 mV, respectively at 10 mA cm−2, emphasizing the synergetic effect of dual atoms nitrogen (N) and sulfur (S) in enhancing electrocatalytic performance. The work proposed here presents the implementation of “waste‐to‐energy” through repurposing of waste floral foam into N, S‐codoped nanoporous carbon as a metal‐free bifunctional electrocatalyst for OER and HER.
A New Comprehensive Model to Simulate and Optimize Fluid Flow in Complex Well‐Formation System for In Situ Leaching Uranium
Authors: Li Zhaokun , Su Xuebin , Jiao Yangquan , Zhang Yu , Qiu Yang , Hu Xiaodong
Published: February 2025

In situ leaching (ISL) is an important method for green and efficient development of sandstone‐type uranium ore. It achieves ISL of uranium through the deployment of injection and extraction vertical well patterns. The optimization of parameter matching between injection and extraction wells is key to improving the efficiency of uranium development. However, as the depth of mining and the scale of development increase, the small area controlled by vertical wells leads to a large number of vertical wells and high drilling costs, which severely affect the benefits of mine development. In this paper, taking the development case of the LK mine area in Xinjiang as an example, an extraction method of “horizontal well injection–vertical well extraction” was innovatively proposed for the first time. By using the well‐storage coupling model and particle tracking technology, this study systematically investigated the impact of well types and injection–extraction parameters on the leaching range and the distribution of leaching dead zones. Furthermore, a hybrid multiobjective optimization algorithm was used to complete the parameter optimization of well‐storage coupling for ISL of uranium. The research content of this paper explores the impact of injection–extraction parameters and well spacing on the leaching effect of “horizontal well injection–vertical well extraction,” providing a method and approach for the optimization study of ISL uranium parameters. In addition, the research results of this paper have certain guiding significance for enhancing the leaching and extraction effect of the existing uranium mining plan in the LK mining area.
A Comprehensive Review of Thermal Management Methods and Ideal System Design for Improved Electric Vehicle Battery Pack Performance and Safety
Authors: Murugan M. , Elumalai P. V. , Vijayakumar KCK , Babu M. , Suresh Kumar K. , Ganesh M. , Kuang Liu , Prabhakar S.
Published: February 2025

The scientific aim of the study is to propose a comprehensive review of thermal management systems (TMSs) used in electric vehicle (EV) battery packs on matters pertaining to performance enhancement, improvements in safety, and reliability. This includes the various thermal management strategies, addressing some of the problems posed by the dynamic nature of operating conditions, and evaluating emerging TMS technologies. From this aspect, the problem of this research focused on the description of a detailed insight into the efficiencies of TMSs inside an EV, pointing to the impacts of various cooling mechanisms, mostly liquid cooling, air cooling, and phase‐change materials. The research study further evaluates the integration of TMS in vehicle design and its effects on battery lifespan, charging speeds, and environmental impacts. The benefits, disadvantages, and specific applications of each method are discussed about EVs. Taking into consideration the fast charging, high‐power, and environmental effects, further discussion is made on the specific challenges that come with dynamic operating conditions of EVs. This is shown through the industry's constant pursuit to develop in this critical area through the discovery of novel technologies, including predictive control algorithms and superior thermal materials. It discusses in depth how heat management is integrated into the general vehicle design and how this impacts battery lifespan, charging speed, and range. In conclusion, it is a source of material for research scholars, engineers, and policymakers in charge of developing EVs by synthesizing what already exists, highlighting trends at current times, and outlining possible future directions in the continuum of optimizing TMS for the next generation of driving automobile transportation batteries.
Infrared‐Treated Diced Dehydrated Onion: Microbiological Shelf Life and Quality Changes
Authors: Savitha S. , Chakraborty Snehasis , Thorat Bhaskar N.
Published: February 2025

Onion dehydration has been associated with surface contamination. Blanching treatments eliminate surface contamination and improve color and texture of the onion prior to dehydration. However, contamination may occur during dehydration through air and human contact. Infrared treatment on the diced dehydrated onion was explored as post‐dehydration treatment. Hot water blanching pretreatment with CaCl2 and infrared treatment at 80°C for 15 min post‐dehydration were employed. The quality attributes and microbiological safety were assessed to estimate the shelf life. Samples stored at 25°C and 75% relative humidity had a shelf life of 25 days. Samples stored at 30°C had a shelf life of 20 days, and those stored at 37°C had a shelf life of 16 days. Browning index was the most sensitive property, having an activation energy of 48.759 ± 0.31 kJ·mol−1, followed by total color change, flavonoid, and pyruvic acid content. The quality attributes degraded as per first‐order kinetics. During the microbiological storage period, about 25%–39% of ascorbic acid, 47%–57% of pyruvic acid, 14%–30% of thiosulphinate content, 66%–76% of total phenolics, and 36%–39% of total flavonoid were retained. The microbiological shelf life of the infrared‐treated diced dehydrated onion was 26, 20, and 16 days at 25°C, 30°C, and 37°C, respectively.
Nutrient Composition, Sensory Qualities, and Acceptability of Locally Prepared Ready‐To‐Use Therapeutic Food in Northern Ghana's Hospital Settings
Authors: Yakubu Tamimu , Apprey Charles , Annan Reginald Adjetey
Published: February 2025

Malnutrition is a significant life threat to children under 5 years of age, especially in disadvantaged regions where accesses to commercial therapeutic foods are limited. Local therapeutic foods, specifically Ready‐to‐Use Therapeutic Food (RUTF), have emerged as crucial interventions. This study delves into the nutrient composition, sensory qualities, and acceptability of hospital‐based locally formulated RUTF in comparison to the WHO standard formulation, examining samples from two hospitals in the northern region of Ghana. The research was a cross‐sectional study design, conducted within 3 months and involved 112 mothers/caregivers and their children. The locally prepared RUTF, demonstrated potential to meet the nutrient requirement of children under 5 years, particularly for SAM management. Microbial analysis indicated safe consumption levels, but discrepancies in nutrient composition arose due to ingredient variations and addition of specific minerals and vitamin. The local formulae compared to WHO standard RUTF, liquid therapeutic formulae, and human breast milk revealed both strengths and limitations in the local formulations. Chemical analysis of samples revealed energy and protein content of 530 kcal and 14 g per 100 g for Tamale Teaching Hospital (TTH), and King Medical Centre (KMC) recorded 570 kcal and 11 g per 100 g respectively. The mean and average acceptability of the samples indicate WHO standard RUTF performed better than the other two samples with an overall acceptability of (30.4) followed by TTH (27.0) and KMC was least liked with (23.0). The study highlights the need for stringent adherence to guidelines and local adaptations to ensure effective, culturally appropriate, and safe therapeutic formulae for malnourished children, and hence, emphasized the critical role of local solutions in global malnutrition management strategies.
Exploring the Driving Forces of the Correlations Between China's Crude Oil Futures and Global and Regional Benchmarks
Authors: Liu Min , Lee Chien‐Chiang
Published: February 2025

The launch of the Shanghai International Energy Exchange crude oil futures (INECOFs) is a milestone in China's path to a dominant position in the global energy market. As INECOFs attract more and more investors, understanding the long‐term correlations between INECOFs and global and regional benchmarks, as well as the driving forces of these correlations, is of paramount interest to investors wishing to conduct risk management and portfolio diversification. This article makes the first attempt to explore the determinants of such correlations using the mixed‐frequency approach. Our results show that INECOFs are highly correlated with the regional benchmarks and less correlated with the global benchmarks. China's crude oil imports, RMB internationalization, the RMB index, economic and trade policy uncertainty, and geopolitical risks significantly impact the dynamics of the correlations in question. China's gross industrial product and price levels cannot drive the movements of all the studied correlations.
Sedimentary Provenance Transition in the North Yellow Sea Basin During Tectonic Transition Period of the Eastern North China Craton in the Late Mesozoic and Its Tectonic Implications
Authors: Yu Haitian , Xu Zhongjie , Cui Kunning , Cheng Rihui , Zhou Yang
Published: February 2025

The North Yellow Sea Basin in the Eastern North China Craton preserves the Upper Jurassic–Lower Cretaceous, and the sedimentary processes of the basin provide clear tectonic transformation records. The Upper Jurassic–Lower Cretaceous detrital mode analysis of sandstone and Lower Cretaceous detrital zircon U–Pb chronology was used to trace the sedimentary provenance and discuss how the sedimentary process records tectonic transformation. The detrital mode analysis of the sandstone revealed significant compositional changes over time. There were more metamorphic lithics and less feldspar in the Upper Jurassic sedimentary rocks, and fewer metamorphic lithics and more feldspar in the Lower Cretaceous sedimentary rocks. These changes in sandstone composition suggest that the source area of the basin changed. Detrital zircon U–Pb geochronology indicated that the sources of Early Cretaceous sediments were no longer from the Sulu orogenic belt but originated from the Liaodong Peninsula and the Korean Peninsula. The change in the sediment source direction from the Upper Jurassic to the Lower Cretaceous in the North Yellow Sea Basin is a good record of compressional orogenesis during the Late Jurassic and transitioning to strike‐slip and extensional processes in the Early Cretaceous.
Medial‐to‐Lateral Approach in Neck Dissection
Authors: Honda Keigo , Omori Koichi , Suehiro Atsushi , Kishimoto Yo , Kojima Tsuyoshi , Hamaguchi Kiyomi , Kawai Yoshitaka , Fujimura Shintaro , Iwanaga Ken , Kitada Yuji
Published: February 2025

This video introduces a medial‐to‐lateral neck dissection technique in the management of head and neck cancer, emphasizing the importance of the middle layer of the deep cervical fascia as a key surgical landmark. The technique involves systematic dissection from superficial lymphatic tissue (Paddle 1) to deeper structures (Paddles 2 and 3), offering better visualization and preservation of functionally important structures, such as the cervical nerves. This approach enhances surgical precision, minimizes nerve damage, and optimizes lymphatic tissue removal.