bluuebunny/crossref_metadata_2025_split huggingface dataset:
Carbon Dots Enabling Parts‐Per‐Billion Sensitive and Ultraselective Photoluminescence Lifetime‐Based Sensing of Inorganic Mercury
Authors: Zdražil Lukáš , Panáček David , Šedajová Veronika , Baďura Zdeněk , Langer Michal , Medveď Miroslav , Paloncýová Markéta , Scheibe Magdalena , Kalytchuk Sergii , Zoppellaro Giorgio , Kment Štěpán , Cadranel Alejandro , Bakandritsos Aristides , Guldi Dirk M. , Otyepka Michal , Zbořil Radek 
Published: July 2023

AbstractOne of the UN Sustainable Development Goals is to ensure universal access to clean drinking water. Among the various types of water contaminants, mercury (Hg) is considered to be one of the most dangerous ones. It is mostly its immense toxicity and vast environmental impact that stand out. To tackle the issue of monitoring water quality, a nanosensor based on carbon dots (CDs) is developed, whose surface is functionalized with carboxylic groups. CDs show Hg2+ concentration‐dependent photoluminescence (PL) lifetimes along with an ultrahigh sensitivity and selectivity. The selectivity of PL quenching by Hg2+ is rationalized by performing light‐induced electron paramagnetic resonance (LEPR) spectroscopy showing significant perturbation of the CD photoexcited state upon Hg2+ binding. The experimental findings are supported by time‐dependent density functional theory (TD‐DFT) calculations. These unveiled the emergence of a low‐lying charge transfer state involving a vacant 6s orbital of Hg2+ stabilized by relativistic effects.
Comprehensive analysis of thermodynamic models for CO2 absorption into a blended N,N‐diethylethanolamine‐1,6‐hexamethyl diamine (DEEA‐HMDA) amine
Authors: Zhao Dongfang , Xiao Xizi , Wang Shuai , Li Miyi , Liu Helei 
Published: July 2023

AbstractIn this work, CO2 equilibrium solubility of 1M N,N‐diethylethanolamine (DEEA):2M 1,6‐hexamethyl diamine (HMDA), 1.5M DEEA:1.5M HMDA and 2M DEEA:1M HMDA was studied with a temperature range of 298–333 K and CO2 partial pressure range of 8–100 kPa. Seven thermodynamic models including Empirical model, Kent and Eisenberg (KE) model, Hu–Chakma model, Austgen model, Helei Liu model, Liu et al. model, and Li–Shen model were developed by correlating reaction equilibrium constants with observed equilibrium solubility of CO2 in mixed amine solvents. The evaluation of those models was conducted in terms of the average absolute relative deviation (AARD). The results indicated that Liu et al. model considering T, [Amine], Ptotal and [CO2(aq)] can better represent this complex system with an AARD of 8.06%. Meanwhile, comprehensive comparison and analysis were also performed to identify the contribution of parameters to develop models, which could provide a guideline for the development of accurate thermodynamic models for representation of thermodynamic behaviors.
Comparing effects of food mechanical properties on oral processing behaviors in two sympatric lemur species
Authors: Flowers Nina , Fogaça Mariana Dutra , Razafindrabe Maminiaina Haja Fabrice , Razafimampiandra Jean Claude , Dolezal Marlies , Yamashita Nayuta 
Published: July 2023

AbstractObjectivesThe link between diet and the masticatory apparatus in primates is complex. We investigated how food mechanical properties (FMPs) and food geometry affect feeding behaviors and subsequent jaw loading. We compared oral processing in two sympatric lemur species with distinct diets and mandibular morphologies.Materials and MethodsAll‐day focal follows ofLemur catta(Lc) andPropithecus verreauxi(Pv) were conducted in both the dry and wet seasons at Beza Mahafaly Special Reserve. We collected activity budget data, filmed feeding bouts, and collected food items to measure their mechanical properties with an FLS‐1 portable tester. Feeding videos for the top food items they spent the most time consuming were analyzed frame‐by‐frame to assess bite and chew numbers and rates.ResultsLcbite more and at a slower rate on tougher (maximum) foods, chew more for tougher (average) foods, and chew less for stiffer leaves.Pvinitially increase chew number for tougher (average) foods, but their behavior is less affected as food toughness increases.Pvchew less and more slowly but spend more of the day feeding thanLc. Additionally, they have a tougher (maximum) diet thanLc.DiscussionLcadjust their feeding behaviors depending on the FMPs of their top food items, whilePvfeed more consistently. The more robust masticatory apparatus ofPvmay not require them to adjust their feeding behaviors for more mechanically challenging foods. Furthermore, the two species show distinct differences in chewing. Exploring chewing on a daily scale could aid in understanding its impact on the loading of the masticatory apparatus.
Ligand‐Enabled NiII‐Catalyzed Hydroxylarylation of Alkenes with Molecular Oxygen
Authors: Wang Dao‐Ming , She Li‐Qin , Yuan Hao , Wu Yichen , Tang Yong , Wang Peng 
Published: July 2023

AbstractThe use of molecular oxygen as the terminal oxidant in transition metal catalyzed oxidative process is an appealing and challenging task in organic synthetic chemistry. Here, we report a Ni‐catalyzed hydroxylarylation of unactivated alkenes enabled by a β‐diketone ligand with high efficiency and excellent regioselectivity employing molecular oxygen as the oxidant and hydroxyl source. This reaction features mild conditions, broad substrate scope and incredible heterocycle compatibility, providing a variety of β‐hydroxylamides, γ‐hydroxylamides, β‐aminoalcohols, γ‐aminoalcohols, and 1,3‐diols in high yields. The synthetic value of this methodology was demonstrated by the efficient synthesis of two bioactive compounds, (±)‐3′‐methoxyl citreochlorol and tea catechin metabolites M4.
A Quadruple‐Borylated Multiple‐Resonance Emitter with para/meta Heteroatomic Patterns for Narrowband Orange‐Red Emission
Authors: Fan Xiao‐Chun , Huang Feng , Wu Hao , Wang Hui , Cheng Ying‐Chun , Yu Jia , Wang Kai , Zhang Xiao‐Hong 
Published: July 2023

AbstractHindered by spectral broadening issues with redshifted emission, long‐wavelength (e.g., maxima beyond 570 nm) multiple resonance (MR) emitters with full width at half maxima (FWHMs) below 20 nm remain absent. Herein, by strategically embedding diverse boron (B)/nitrogen (N) atomic pairs into a polycyclic aromatic hydrocarbon (PAH) skeleton, we propose a hybrid pattern for the construction of a long‐wavelength narrowband MR emitter. The proof‐of‐concept emitter B4N6‐Me realized orange‐red emission with an extremely small FWHM of 19 nm (energy unit: 70 meV), representing the narrowest FWHM among all reported long‐wavelength MR emitters. Theoretical calculations revealed that the cooperation of the applied para B‐π‐N and para B‐π‐B/N‐π‐N patterns is complementary, which gives rise to both narrowband and redshift characteristics. The corresponding organic light‐emitting diode (OLED) employing B4N6‐Me achieved state‐of‐the‐art performance, e.g., a narrowband orange‐red emission with an FWHM of 27 nm (energy unit: 99 meV), an excellent maximum external quantum efficiency (EQE) of 35.8 %, and ultralow efficiency roll‐off (EQE of 28.4 % at 1000 cd m−2). This work provides new insights into the further molecular design and synthesis of long‐wavelength MR emitters.
Engineering of Therapeutic and Detoxifying Enzymes
Authors: Michailidou Freideriki 
Published: July 2023

AbstractTherapeutic enzymes present excellent opportunities for the treatment of human disease, modulation of metabolic pathways and system detoxification. However, current use of enzyme therapy in the clinic is limited as naturally occurring enzymes are seldom optimal for such applications and require substantial improvement by protein engineering. Engineering strategies such as design and directed evolution that have been successfully implemented for industrial biocatalysis can significantly advance the field of therapeutic enzymes, leading to biocatalysts with new‐to‐nature therapeutic activities, high selectivity, and suitability for medical applications. This minireview highlights case studies of how state‐of‐the‐art and emerging methods in protein engineering are explored for the generation of therapeutic enzymes and discusses gaps and future opportunities in the field of enzyme therapy.
Click‐iG: Simultaneous Enrichment and Profiling of Intact N‐linked, O‐GalNAc, and O‐GlcNAcylated Glycopeptides
Authors: Liu Jialin , Cheng Bo , Fan Xinqi , Zhou Xinyue , Wang Jiankun , Zhou Wen , Li Hengyu , Zeng Wenfeng , Yang Pengyuan , Chen Xing 
Published: July 2023

AbstractProteins are ubiquitously modified with glycans of varied chemical structures through distinct glycosidic linkages, making the landscape of protein glycosylation challenging to map. Profiling of intact glycopeptides with mass spectrometry (MS) has recently emerged as a powerful tool for revealing matched information of the glycosylation sites and attached glycans (i.e., intact glycosites), but is largely limited to individual glycosylation types. Herein, we describe Click‐iG, which integrates metabolic labeling of glycans with clickable unnatural sugars, an optimized MS method, and a tailored version of pGlyco3 software to enable simultaneous enrichment and profiling of three types of intact glycopeptides: N‐linked, mucin‐type O‐linked, and O‐GlcNAcylated glycopeptides. We demonstrate the utility of Click‐iG by the identification of thousands of intact glycosites in cell lines and living mice. From the mouse lung, heart, and spleen, a total of 2053 intact N‐glycosites, 262 intact O‐GalNAc glycosites, and 1947 O‐GlcNAcylation sites were identified. Click‐iG‐enabled comprehensive coverage of the protein glycosylation landscape lays the foundation for interrogating crosstalk between different glycosylation pathways.
Smoke suppressant and fire‐retardant polyurethane‐polyisocyanurate (PIR) foam
Authors: Değirmenci Berrin , Köken Nesrin , Akar Ahmet 
Published: July 2023

AbstractIn this study, the combinations of phosphorous‐containing fire retardants such as triethyl phosphate, oligomeric triethyl phosphate, diethyl ethyl phosphonate, diethyl hydroxymethyl phosphonate, ammonium polyphosphate, and smoke suppressant zinc borate were used as additives in order to produce non‐toxic smoke suppressant and fire‐retardant rigid polyurethane‐polyisocyanurate (PIR) foams. Flame height and smoke density of polyurethane‐polyisocyanurate foam decreased by incorporating different combinations of combustion modifiers in PIR formulations. The smoke suppressant was zinc borate. The combination of zinc borate with triethyl phosphate, oligomeric triethyl phosphate, and diethyl hydroxymethyl phosphonate resulted in a good synergy. The cone calorimeter analysis showed that the best combinations were zinc borate (10.1%) and triethyl phosphate (13.7%), or zinc borate (10.1%), triethyl phosphate (6.9%), and oligomeric triethyl phosphate (7%) and they decreased the burning and smoke formation rate of PIR foam. These combinations may be applied to produce fire‐retardant PIR foam in the industry.
Coordinated control study of oil, wax, and antioxidants on tire sidewall rubber discoloration and fatigue properties
Authors: Kong Hao , Wang Ruijia , Jiang Shuangyan , Yong Zhanfu 
Published: July 2023

AbstractSidewall discoloration and fatigue directly affect the aesthetic value and functional efficiency of tires during their service life. This study designed L9 orthogonal experiments with oil, wax, and antioxidant as factors to study their effects on the discoloration and fatigue performance of tire sidewall rubber. Molecular dynamics simulation calculations, nonlinear finite element analysis, and modern characterization methods were adopted for the investigation. The findings indicated that antioxidant precipitation was the main cause of sidewall discoloration; aromatic oil accelerated sidewall discoloration and the expansion of tire sidewall fatigue cracks; and microcrystalline wax enhanced the fatigue properties of rubber compounds by halting the aging and breakdown of rubber molecular chains. This paper provides insights into the coordinated control and formulation optimization of tire sidewall material discoloration and fatigue life. Furthermore, it helps to reduce waste tires and sidewall chemical release into the environment.
“Conducted Properly, Published Incorrectly”: The Evolving Status of Gel Electrophoresis Images Along Instrumental Transformations in Times of Reproducibility Crisis
Authors: Callaerts Nephtali , Hocquet Alexandre , Wieber Frédéric 
Published: July 2023

AbstractFor the last ten years, within molecular life sciences, the reproducibility crisis discourse has been embodied as a crisis of trust in scientific images. Beyond the contentious perception of “questionable research practices” associated with a digital turn in the production of images, this paper highlights the transformations of gel electrophoresis as a family of experimental techniques. Our aim is to analyze the evolving epistemic status of generated images and its connection with a crisis of trust in images within that field.From the 1980s to the 2000s, we identify two key innovations (precast gels and gel docs) leading to a “two‐tiered” gel electrophoresis with different standardization procedures, different epistemic statuses of the produced images and different ways of generating (dis)trust in images. The first tier, exemplified by differential gel electrophoresis (DIGE), is characterized by specialized devices processing images as quantitative data. The second tier, exemplified by polyacrylamide gel electrophoresis (PAGE), is described as a routine technique making use of image as qualitative “virtual witnessing.” The difference between these two tiers is particularly apparent in the ways images are processed, even though both tiers involve image digitization. Our account thus highlights different views on reproducibility within the two tiers. Comparability of images is insisted upon in the first tier while traceability is expected in the second tier. It is striking that these differences occur not only within the same scientific field, but even within the same family of experimental techniques. In the second tier, digitization entails distrust, whereas it implies a collective sentiment of trust in the first tier.
COVID severity test (CoST sensor)—An electrochemical immunosensing approach to stratify disease severity
Authors: Madhurantakam Sasya , Karnam Jayanth Babu , Muthukumar Sriram , Prasad Shalini 
Published: July 2023

AbstractWith the evolution of the COVID‐19 pandemic, there is now a need for point‐of‐care devices for the quantification of disease biomarkers toward disease severity assessment. Disease progression has been determined as a multifactor phenomenon and can be treated based on the host immune response within each individual. CoST is an electrochemical immunosensor point‐of‐care device that can determine disease severity through multiplex measurement and quantification of spike protein, nucleocapsid protein, D‐dimer, and IL‐2R from 100 μL of plasma samples within a few minutes. The limit of detection was found to be 3 ng/mL and 21 ng/mL for S and N proteins whereas for D‐dimer and IL‐2R it was 0.0006 ng/mL and 0.242 ng/mL, respectively. Cross‐reactivity of all the biomarkers was studied and it was found to be <20%. Inter and intra‐assay variability of the CoST sensor was less than <15% confirming its ability to detect the target biomarker in body fluids. In addition, this platform has also been tested to quantify all four biomarkers in 40 patient samples and to predict the severity index. A significant difference was observed between healthy and COVID‐19 samples with a p‐value of 0.0002 for D‐dimer and <0.0001 for other proteins confirming the ability of the COST sensor to be used as a point of care device to assess disease severity at clinical sites. This device platform can be modified to impact a wide range of disease indications where prognostic monitoring of the host response can be critical in modulating therapy.
Surface‐modified Ag@Ru‐P25 for photocatalytic CO2 conversion with high selectivity over CH4 formation at the solid–gas interface
Authors: Hiragond Chaitanya B. , Biswas Sohag , Powar Niket S. , Lee Junho , Gong Eunhee , Kim Hwapyong , Kim Hong Soo , Jung Jin‐Woo , Cho Chang‐Hee , Wong Bryan M. , In Su‐Il 
Published: July 2023

AbstractSystematic optimization of the photocatalyst and investigation of the role of each component is important to maximizing catalytic activity and comprehending the photocatalytic conversion of CO2 reduction to solar fuels. A surface‐modified Ag@Ru‐P25 photocatalyst with H2O2 treatment was designed in this study to convert CO2 and H2O vapor into highly selective CH4. Ru doping followed by Ag nanoparticles (NPs) cocatalyst deposition on P25 (TiO2) enhances visible light absorption and charge separation, whereas H2O2 treatment modifies the surface of the photocatalyst with hydroxyl (–OH) groups and promotes CO2 adsorption. High‐resonance transmission electron microscopy, X‐ray photoelectron spectroscopy, X‐ray absorption near‐edge structure, and extended X‐ray absorption fine structure techniques were used to analyze the surface and chemical composition of the photocatalyst, while thermogravimetric analysis, CO2 adsorption isotherm, and temperature programmed desorption study were performed to examine the significance of H2O2 treatment in increasing CO2 reduction activity. The optimized Ag1.0@Ru1.0‐P25 photocatalyst performed excellent CO2 reduction activity into CO, CH4, and C2H6 with a ~95% selectivity of CH4, where the activity was ~135 times higher than that of pristine TiO2 (P25). For the first time, this work explored the effect of H2O2 treatment on the photocatalyst that dramatically increases CO2 reduction activity.
Enabling active participation and inquiry‐based learning – inclusive learning settings for a student laboratory for lower secondary school
Authors: Kieferle Sarah , Markic Silvija 
Published: July 2023

AbstractNaturwissenschaftliche Bildung für alle! – Eine Antwort auf die wachsende Diversität der Schülerschaft ist der inklusive Naturwissenschaftsunterricht. Empfehlungen zur Verknüpfung inklusiver und naturwissenschaftlicher Prinzipien sind bisweilen mehr normativ als praxisorientiert. Im SchülerInnenlabor der PH Ludwigsburg werden inklusive Lernumgebungen entwickelt und umgesetzte, die allen Lernenden eine aktive Teilhabe und das Forschende Lernen ermöglichen. Diese werden von Lerngruppen bewertet. Es werden Evaluationsergebnisse aus zwei Perspektiven hinsichtlich des Gelingens der aktiven Teilhabe aller Lernenden und des Forschenden Lernens vorgestellt, die andeuten, dass kontextorientierte und Lernhilfen‐gestützte Lernumgebungen sowie das Arbeiten in kooperativen Teams und mit Tablets sich beim Experimentieren im SchülerInnenlabor positiv auf das Gelingen und das situative Interesse der Lernenden auswirken.
Efficacy of single‐pill combination in uncontrolled essential hypertension: A systematic review and network meta‐analysis
Authors: Xie Mengxin , Tang Tianjiao , Liang Hongsheng 
Published: July 2023

AbstractThis study aimed to evaluate the efficacy of single‐pill combination (SPC) antihypertensive drugs in patients with uncontrolled essential hypertension. Through Searching Pubmed, EMBASE, the Cochrane Library, and Web of Science collected only randomized controlled trials on the efficacy of single‐pill combination antihypertensive drugs in people with uncontrolled essential hypertension. The search period is from the establishment of the database to July 2022. The methodological quality of the included studies was assessed using the Cochrane Risk of Bias Assessment, and statistical analyses were performed using Review Manage 5.3 and Stata 15.1 software. This review ultimately included 32 references involving 16 273 patients with uncontrolled essential hypertension. The results of the network meta‐analysis showed that a total of 11 single‐pill combination antihypertensive drugs were included, namely: Amlodipine/valsartan, Telmisartan/amlodipine, Losartan/HCTZ, Candesartan/HCTZ, Amlodipine/benazepril, Telmisartan/HCTZ, Valsartan/HCTZ, Irbesartan/amlodipine, Amlodipine/losartan, Irbesartan/HCTZ, and Perindopril/amlodipine. According to SUCRA, Irbesartan/amlodipine may rank first in reducing systolic blood pressure (SUCRA: 92.2%); Amlodipine/losartan may rank first in reducing diastolic blood pressure (SUCRA: 95.1%); Telmisartan/amlodipine may rank first in blood pressure control rates (SUCRA: 83.5%); Amlodipine/losartan probably ranks first in diastolic response rate (SUCRA: 84.5%). Based on Ranking Plot of the Network, we can conclude that single‐pill combination antihypertensive drugs are superior to monotherapy, and ARB/CCB combination has better advantages than other SPC in terms of systolic blood pressure, diastolic blood pressure, blood pressure control rate, and diastolic response rate. However, due to the small number of some drug studies, the lack of relevant studies has led to not being included in this study, which may impact the results, and readers should interpret the results with caution.
Global well‐posedness for the one‐phase Muskat problem
Authors: Dong Hongjie , Gancedo Francisco , Nguyen Huy Q. 
Published: July 2023

AbstractThe free boundary problem for a two‐dimensional fluid permeating a porous medium is studied. This is known as the one‐phase Muskat problem and is mathematically equivalent to the vertical Hele‐Shaw problem driven by gravity force. We prove that if the initial free boundary is the graph of a periodic Lipschitz function, then there exists a global‐in‐time Lipschitz solution in the strong sense and it is the unique viscosity solution. The proof requires quantitative estimates for layer potentials and pointwise elliptic regularity in Lipschitz domains. This is the first construction of unique global strong solutions for the Muskat problem with initial data of arbitrary size.
Directly Bound Deuterons Increase X‐Nuclei Hyperpolarization using Dynamic Nuclear Polarization
Authors: Rooney Catriona H. E. , Gamliel Ayelet , Shaul David , Tyler Damian J. , Grist James T. , Katz‐Brull Rachel 
Published: July 2023

AbstractDeuterated 13C sites in sugars (D‐glucose and 2‐deoxy‐D‐glucose) showed 6.3‐to‐17.5‐fold higher solid‐state dynamic nuclear polarization (DNP) levels than their respective protonated sites at 3.35T. This effect was found to be unrelated to the protonation of the bath. Deuterated 15N in sites bound to exchangeable protons ([15N2]urea) showed a 1.3‐fold higher polarization than their respective protonated sites at the same magnetic field. This relatively smaller effect was attributed to incomplete deuteration of the 15N sites due to the solvent mixture. For a 15N site that is not bound to protons or deuterons ([15N]nitrate), deuteration of the bath did not affect the polarization level. These findings suggest a phenomenon related to DNP of X‐nuclei directly bound to deuteron(s) as opposed to proton(s). It appears that direct binding to deuterons increases the solid‐state DNP polarization level of X‐nuclei which are otherwise bound to protons.