bluuebunny/crossref_metadata_2025 huggingface dataset:
A pipeline for the rapid collection of color data from photographs
Authors: Luong Yvonne , Gasca‐Herrera Ariel , Misiewicz Tracy M. , Carter Benjamin E.
Published: October 2023

Premise

There are relatively few studies of flower color at landscape scales that can address the relative importance of competing mechanisms (e.g., biotic: pollinators; abiotic: ultraviolet radiation, drought stress) at landscape scales.

Methods

We developed an R shiny pipeline to sample color from images that were automatically downloaded using query results from a search using iNaturalist or the Global Biodiversity Information Facility (GBIF). The pipeline was used to sample ca. 4800 North American wallflower (Erysimum, Brassicaceae) images from iNaturalist. We tested whether flower color was distributed non‐randomly across the landscape and whether spatial patterns were correlated with climate. We also used images including ColorCheckers to compare analyses of raw images to color‐calibrated images.

Results

Flower color was strongly non‐randomly distributed spatially, but did not correlate strongly with climate, with most of the variation explained instead by spatial autocorrelation. However, finer‐scale patterns including local correlations between elevation and color were observed. Analyses using color‐calibrated and raw images revealed similar results.

Discussion

This pipeline provides users the ability to rapidly capture color data from iNaturalist images and can be a useful tool in detecting spatial or temporal changes in color using citizen science data.
Co‐occurrence patterns of endangered Sakhalin taimen and introduced rainbow trout in Hokkaido, Japan, inferred by environmental DNA metabarcoding
Authors: Kanbe Takashi , Mizumoto Hiroki , Mitsuzuka Takashi , Nakajima Nobuyoshi , Araki Hitoshi
Published: October 2023

The distribution of endangered aquatic organisms is difficult to estimate, and so is species interaction in aquatic environments. In this study, an environmental DNA (eDNA) metabarcoding assay was developed to identify Salmoninae species and the co‐occurrence of two salmonid species: Sakhalin taimen (Parahucho perryi, a critically endangered salmonid species) and invasive rainbow trout (Oncorhynchus mykiss) in Hokkaido, the second‐largest main island of Japan.

The newly developed eDNA metabarcoding assay was successful in identifying 16 different Salmoninae species in an aquarium test and to provide a semi‐quantitative measure of eDNA concentration.

The eDNA metabarcoding was then applied to 319 eDNA samples from 278 river systems in Hokkaido. The eDNA from Sakhalin taimen was identified in 17 river systems, of which nine also hosted rainbow trout according to the eDNA detections, suggesting a significantly disproportionate overlap of their distributions with Sakhalin taimen (P = 0.029). In addition, both species showed low eDNA concentrations (as a proxy of biomass) where they co‐occur, presumably reflecting negative interactions between them.

This study provides strong evidence that Sakhalin taimen is indeed endangered in Hokkaido. Rainbow trout have been widespread since their introduction to Hokkaido decades ago, and they are expected to spawn shortly after the spawning season of Sakhalin taimen. Therefore, the significant overlap of their distributions further increases the risk of extinction. The results encourage conservation efforts to limit the expansion of rainbow trout into rivers that currently support Sakhalin taimen.
Synthesis and neuroprotective activity of 3‐aryl‐3‐azetidinyl acetic acid methyl ester derivatives
Authors: Šachlevičiūtė Urtė , Gonzalez Gabriel , Kvasnicová Marie , Štěpánková Šárka , Kleizienė Neringa , Bieliauskas Aurimas , Zatloukal Marek , Strnad Miroslav , Sløk Frank A. , Kvasnica Miroslav , Šačkus Algirdas , Žukauskaitė Asta
Published: October 2023

A library of 3‐aryl‐3‐azetidinyl acetic acid methyl ester derivatives was prepared from N‐Boc‐3‐azetidinone employing the Horner‐Wadsworth‐Emmons reaction, rhodium(I)‐catalyzed conjugate addition of arylboronic acids, and subsequent elaborations to obtain N‐unprotected hydrochlorides, N‐alkylated and N‐acylated azetidine derivatives. The compounds were evaluated for acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitory activity, revealing several derivatives to possess AChE inhibition comparable to that of the AChE inhibitor rivastigmine. The binding mode of the AChE inhibitor donepezil and selected active compounds 26 and 27 within the active site of AChE was studied using molecular docking. Furthermore, the neuroprotective activity of the prepared compounds was evaluated in models associated with Parkinson's disease (salsolinol‐induced) and aspects of Alzheimer's disease (glutamate‐induced oxidative damage). Compound 28 showed the highest neuroprotective effect in both salsolinol‐ and glutamate‐induced neurodegeneration models, and its protective effect in the glutamate model was revealed to be driven by a reduction in oxidative stress and caspase‐3/7 activity.
Über die gemeinsame Oxydation von Hydrochinon und Sulfit durch Luftsauerstoff
Authors: Pinnow Joh.
Published: October 2023

Es wird gezeigt:

daß selbst geringe Mengen Hydrochinondisulfonat einen stark wirkenden, antikatalytischen Schutz auf Sulfitlösungen gegen die Oxydation durch Luftsauerstoff ausüben, und daß die Schutzwirkungen von Disulfonat und Glyzerin einander verstärken;

daß Kupferionen auch die gemeinsame Oxydation von Sulfit und Hydrochinon beschleunigen und das Oxydationsverhältnis zuungunsten des letzteren verschieben;

daß Disulfonat wohl die durch Kupferionen bewirkte Beschleunigung der Oxydation von Sulfit‐ und von Sulfit‐Hydrochinonlösungen durch Luftsauerstoff wieder zurückdrängt, nicht aber das Oxydationsverhältnis in den letzteren verändert;

daß nicht nur die Oxydationsgeschwindigkeit, sondern auch das Oxydationsverhältnis der Sulfit‐Hydrochinonlösungen von der Hydroxylionenkonzentration abhängig ist und dieses auch im Verlaufe der Oxydation mit der Abnahme der Hydrochinonkonzentration und dem Auftreten der Monosulfosäure sich in mäßigem Grade verschiebt;

daß die gerühmte Wirkung gealterter Sulfit‐Hydrochinonlösungen nicht auf Sulfitspeicherung in einer Kornplexverbindung, sondern auf der Bildung von Hydrochinonmonosulfosäure beruht.

Es wird das neue experimentelle Material zur Deutung des Oxydationsverlaufes von Sulfit‐Hydrochinonlösungen herangezogen.
SETting up the genome: KMT2D and KDM6A genomic function in the Kabuki syndrome craniofacial developmental disorder
Authors: Shpargel Karl B. , Quickstad Gabrielle
Published: October 2023

Background

Kabuki syndrome is a congenital developmental disorder that is characterized by distinctive facial gestalt and skeletal abnormalities. Although rare, the disorder shares clinical features with several related craniofacial syndromes that manifest from mutations in chromatin‐modifying enzymes. Collectively, these clinical studies underscore the crucial, concerted functions of chromatin factors in shaping developmental genome structure and driving cellular transcriptional states. Kabuki syndrome predominantly results from mutations in KMT2D, a histone H3 lysine 4 methylase, or KDM6A, a histone H3 lysine 27 demethylase.

Aims

In this review, we summarize the research efforts to model Kabuki syndrome in vivo to understand the cellular and molecular mechanisms that lead to the craniofacial and skeletal pathogenesis that defines the disorder.

Discussion

As several studies have indicated the importance of KMT2D and KDM6A function through catalytic‐independent mechanisms, we highlight noncanonical roles for these enzymes as recruitment centers for alternative chromatin and transcriptional machinery.
A biotechnological approach for the production of new protein bioplastics
Authors: De Marchis Francesca , Vanzolini Tania , Maricchiolo Elisa , Bellucci Michele , Menotta Michele , Di Mambro Tomas , Aluigi Annalisa , Zattoni Andrea , Roda Barbara , Marassi Valentina , Crinelli Rita , Pompa Andrea
Published: October 2023

The future of biomaterial production will leverage biotechnology based on the domestication of cells as biological factories. Plants, algae, and bacteria can produce low‐environmental impact biopolymers. Here, two strategies were developed to produce a biopolymer derived from a bioengineered vacuolar storage protein of the common bean (phaseolin; PHSL). The cys‐added PHSL* forms linear‐structured biopolymers when expressed in the thylakoids of transplastomic tobacco leaves by exploiting the formation of inter‐chain disulfide bridges. The same protein without signal peptide (ΔPHSL*) accumulates in Escherichia coli inclusion bodies as high‐molar‐mass species polymers that can subsequently be oxidized to form disulfide crosslinking bridges in order to increase the stiffness of the biomaterial, a valid alternative to the use of chemical crosslinkers. The E. coli cells produced 300 times more engineered PHSL, measured as percentage of total soluble proteins, than transplastomic tobacco plants. Moreover, the thiol groups of cysteine allow the site‐specific PEGylation of ΔPHSL*, which is a desirable functionality in the design of a protein‐based drug carrier. In conclusion, ΔPHSL* expressed in E. coli has the potential to become an innovative biopolymer.
Acetone Gas‐sensing Properties of Multiple‐networked Pd‐decorated Bi2O3 Nanorod Sensors
Authors: Park Sunghoon , Kim Soohyun , Lee Sangmin , Lee Chongmu
Published: October 2023

This study examined the sensing properties of Bi2O3
nanorods decorated with Pd nanoparticles. Pd‐decorated β‐Bi2O3
nanorods were prepared by immersing the Bi2O3
nanorods in ethanol/(50 mM)PdCl2
solution followed by UV irradiation and annealing. The Bi2O3
nanorods decorated with Pd nanoparticles showed faster and stronger response to acetone gas than the pristine Bi2O3
nanorods. Interestingly, the difference in response time between the Pd‐decorated Bi2O3
nanorod sensor and pristine Bi2O3
nanorod sensor increased with increasing the acetone gas concentration. In contrast, the difference in recovery time between the two nanorod sensors decreased with increasing the acetone gas concentration. This difference can be explained using the chemical mechanism. The underlying mechanism for the enhanced response of the Bi2O3
nanorods decorated with Pd nanoparticles to acetone gas is also discussed.
Practical Synthesis of 1‐(2‐Nitro‐1H‐imidazol‐1‐yl)‐3‐(tosyloxy)propan‐2‐yl acetate for the Radiosynthesis of [18F]‐FMISO
Authors: Kwon Young‐Do , Seol Eun‐taek , Lim SeokTae , Sohn Myung‐Hee , Kim Hee‐Kwon , Jung Yongju , Lee Seung Jae
Published: October 2023

Hypoxia is related with many tumors due to a decreased oxygen condition. Novel synthesis for 1‐(2‐nitro‐1H‐imidazol‐1‐yl)‐3‐(tosyloxy)propan‐2‐yl acetate for the radiosynthesis of the [
18F]‐Flouromisonidazole ([
18F]‐FMISO), a hypoxia imaging marker used in positron emission tomography, from the readily available starting material is described. In this approach, one‐pot two‐step syntheses were used for the preparation of the [
18F]‐FMISO precursors that contain acetyl group. The mild reaction conditions and easy treatments are attractive features in this synthesis. This new synthetic route provides alternative choices for the preparation of hypoxia imaging marker.
A Study on Mono and Mixed Nano‐supported Co‐based Catalysts for Dry Reforming of Methane
Authors: Al‐Fatesh Ahmed Sadeq
Published: October 2023

Effect of calcination temperature on Co‐based catalysts was studied in order to evaluate the modifications in structural and catalytic properties for catalytic reforming of CH4
with CO2
. In this regard, two sets of mono (i.e., CeO2
and ZrO2
) and mixed nano‐supported (i.e., CeO2–ZrO2
) cobalt‐based catalysts, calcined at two different temperatures (500 and 900 °C), were prepared. To evaluate the catalytic activity of the prepared catalysts, CO2–CH4
reforming reaction was performed in a micro tubular reactor under atmospheric conditions (1 atm) and at different reaction temperatures ranging from 450 to 800 °C. For stability evaluation, the time on stream experiments, under similar reaction conditions, was conducted at 700 °C for 9 h. Furthermore, for selected catalysts the effect of reactants feed ratio (CO2
/CH4
) and gas space velocity (GSV) were also studied. Various techniques such as N2
adsorption–desorption isotherm, temperature‐programmed reduction (TPR), temperature‐programmed desorption (TPD), X‐ray diffraction (XRD), and thermogravimetric analysis (TGA) were used to characterize the prepared catalysts. It was found that the use of a specific calcination temperature in the pretreatment step had a strong influence on catalytic activity, stability, and amount of carbon deposition over catalyst surface in the dry reforming of methane. Additionally, the study revealed that the catalysts calcined at 500 °C had better activity and stability than those calcined at 900 °C.
Discovery of a Novel Series of Indolyl Hydrazide Derivatives as Diacylglycerol Acyltransferase‐1 Inhibitors
Authors: Kim Minkyoung , Kwon Jinsun , Kim Mun Ock , Singh Sarbjit , Kim Sang Kyum , Lee Kyeong , Lee Kiho , Lee Hyun Sun , Choi Yongseok
Published: October 2023

A novel series of hydrazide derivatives were synthesized as potential diacylglycerol acyltransferase (DGAT) inhibitors. Among them, compounds 8u and 8v exhibited selective and potent DGAT‐1 inhibitory activities. In addition, compound 8u dose‐dependently inhibited triglyceride synthesis in HepG2 cell lines. Furthermore, treatment with compound 8u for an oral lipid tolerance test showed a significant decrease in plasma triglyceride levels compared with vehicle‐treated control animals, indicating delayed absorption of triglyceride after an acute lipid challenge.
Preparation of a New Polymer Containing Benzodithiophene and Imide‐functionalized Pyrrolo[3,4‐c]pyrrole‐1,3‐dione Units for Polymer Solar Cells
Authors: Agneeswari Rajalingam , Roh Kyung Hwan , Tamilavan Vellaiappillai , Jin Youngeup , Park Sung Heum , Hyun Myung Ho
Published: October 2023

A pyrrole‐based, imide‐functionalized, electron‐deficient monomer unit, 4,6‐dibromo‐2,5‐dioctylpyrrolo[3,4‐c]pyrrole‐1,3(2H
,5H
)‐dione (DPPD), was copolymerized with electron‐rich 2,6‐bis(trimethyltin)‐4,8‐bis(2‐ethylhexyloxy)benzo[1,2‐b:4,5‐b′]dithiophene to afford the polymer P(
BDT‐DPPD
). The weight‐averaged molecular weight (M
w) of P(
BDT‐DPPD
) was 6.41 × 103 g/mol with a polydispersity index (PDI) of 1.32. P(
BDT‐DPPD
) displayed a broad absorption band from 300 to 600 nm with onset absorption at 596 nm in the film state. The calculated optical bandgap of P(
BDT‐DPPD
) was 2.08 eV, and the estimated highest occupied molecular orbital energy level of P(
BDT‐DPPD
) was −5.48 eV. The polymer solar cell (PSC) fabricated in the ITO/PEDOT:PSS/P(
BDT‐DPPD
)/PC70BM (1:2 wt%)/Al configuration was found to give a maximum power conversion efficiency (PCE) of 1.46% with an open‐circuit voltage (V
oc) of 0.79 V, a current density (J
sc) of 4.59 mA/cm2, and a fill factor (FF) of 40%.
Application of Room‐Temperature Ionic Liquids in Preparation of Highly Porous Polymer Membranes and Microspheres
Authors: Kim Seung‐Hoi , Seo Jae‐Won , Shin Ueon Sang
Published: October 2023

Polylactic acid (PLA) and polycaprolactone (PCL) devices with diverse morphologies, such as particulate structure, porous structures, and microspheres, were prepared using imidazolium‐ or ammonium‐based room‐temperature ionic liquids [bmim]X or [toma]X (X = NTf2
, PF6
, OTf, BF4
, Cl). Their morphological transformations could be induced by diverse approaches, including the changes of polymer type, the cationic or counter‐anionic change of ionic liquid, the concentration change of ionic liquid, as well as the type and the quantity change of organic solvent. The results are likely to provide useful information for the production of diverse devices (or scaffolds) with particulate or porous structure and beads with various sizes and surface morphologies in fields such as biomedical tissue engineering, drug delivery, gas storage and separation, heterogeneous catalysis, and polymer gel electrolytes.
Quantum‐Chemical Studies to Approach the Antioxidant Mechanism of Nonphenolic Hydrazone Schiff Base Analogs: Synthesis, Molecular Structure, Hirshfeld and Density Functional Theory Analyses
Authors: Alam Mohammad Sayed , Lee Dong‐Ung
Published: October 2023

In the present study, five nonphenolic (E)‐N′‐benzylidenebenzohydrazides including three new compounds were synthesized and evaluated for their free radical scavenging activities using 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH). X‐Ray analysis of a single crystal of (E)‐N′‐(4‐chlorobenzylidene)benzohydrazide (3c) revealed a triclinic, space group P‐1 structure with a trans configuration around the azomethine (C2N2) double bond. The three‐dimensional Hirshfeld surfaces and the related two‐dimensional fingerprint plots were also drawn to study the plausible intermolecular interactions. Density functional calculations of structures, electronic densities, frontier molecular orbitals modeling, and Mulliken charge analysis of all compounds were performed at the B3LYP/6‐311G level of theory. Theoretical vibrational frequencies were predicted and compared with experimental values, and results supported the validity of optimized geometry of noncrystalline compounds. All synthesized compounds showed significant DPPH radical scavenging activity, although compound 3d exhibited greatest antioxidant activity with an IC50
value of 11 μM. The results of DFT analysis were used to explain the proposed antioxidant mechanism of (E)‐N′‐benzylidenebenzohydrazide analogs. This analysis revealed that protons attached to N, O, and C atoms possessing high negative charge are involved in the production of free radicals that scavenge DPPH. Moreover, the antioxidant activities of (E)‐N′‐benzylidenebenzohydrazide analogs correlated well with HOMO–LUMO energy difference of molecules.
Loading and Release of Doxorubicin with Magnetic Nanotubes#
Authors: Bai Xia , Wang Xiang , English Douglas , Lee Sang Bok
Published: October 2023

In this work, we study magnetic nanotubes (MNTs) as drug carriers to control the loading and release of doxorubicin (Dox). The inner surfaces of MNTs where Dox molecules are stored are modified with C18‐silane and pyridine–silane. By tuning the interaction between the drug molecules and inner surfaces of MNTs via pH, Dox can be effectively encapsulated at pH 7.2 and released at pH 4.5. The successful loading of Dox is confirmed with confocal microscopy studies. The release profiles of Dox from modified MNTs are detected by spectrofluorophotometry, with bare MNTs as control. With proper modifications, MNTs can be used for pH‐dependent, controlled release of drug molecules.
UV Photolysis of Glycine on Ice Films: Implication for Photosynthesis and Photodestruction of Amino Acids in Interstellar Medium#
Authors: Lee Chang‐Woo , Kang Heon
Published: October 2023

Extraterrestrial amino acids and their possible formation and destruction processes are an intriguing research topic in astrochemistry and astrobiology. We studied the ultraviolet (UV) photolysis of glycine under conditions similar to that of the interstellar medium by irradiating UV light onto an ice film adsorbed with glycine at low temperature (<60 K). UV light photodissociated glycine into smaller molecules, such as ammonia, methylamine, CH2NH2, and CO2H. Protonated ions of the neutral species, including , , and possibly , were also detected. The observed photofragments support the possibility that interstellar amino acids undergo competing photosynthesis and photodestruction processes on ice grains under UV irradiation, and a feedback mechanism between these two processes may assist the storage and transport of amino acids in interstellar space.
Side Chain Cleavage in TEMPO‐assisted Free Radical Initiated Peptide Sequencing (FRIPS): Amino Acid Composition Information#
Authors: Lee Choong Sik , Jang Inae , Hwangbo Song , Moon Bongjin , Oh Han Bin
Published: October 2023

In tandem mass spectrometry, side‐chain losses are known to provide information on the presence of certain amino acid residues, which can improve peptide identification. In this study, we examine whether side‐chain losses also occur in free‐radical‐initiated peptide sequencing mass spectrometry (FRIPS MS). All four peptides examined here, i.e., ALPMHIR, YRPPGFSPFR, RPPGFSPYR, and YGGFLRRIRPKLK, showed extensive small group losses in the so‐called (M• – X) region. Furthermore, peaks due to small group loss accompanying backbone fragmentations were also extensively observed. The observed small group losses, either radical or neutral side‐chain losses, confirmed the presence of certain amino acids, even exhibiting signature peaks for isoleucine and leucine. In addition, mechanisms for small group losses in FRIPS MS are proposed.
Comparative Atomic Charges on Na+‐(H2O)n (n = 1–6) Clusters#
Authors: Uddin Nizam , Choi Cheol Ho
Published: October 2023

The performance of our mean gradient charge (MGC) concept was systematically investigated by adopting Na+‐(H2O)n (n = 1–6) model clusters. The Mulliken charges are sensitive to the choice of theories and basis sets, and ChelpG charges abnormally behave with the system size. MGC and “atoms‐in‐molecules” (AIM) show small mean standard deviations (~0.02) with the choice of the theory and the basis set. However, an unpredictable value was found in AIM predictions. Both natural population analysis (NPA) and MGC yielded smooth and monotonic curves as a function of the system size. Therefore, MGC appears to have desirable properties in the consistent and reliable predictions of atomic charges.
Excited‐State Dynamics of All‐trans‐Retinal Investigated by Time‐resolved Electronic and Vibrational Spectroscopy#
Authors: Jen Myungsam , Lee Sebok , Pang Yoonsoo
Published: October 2023

Time‐resolved electronic and vibrational spectroscopy has been applied to understand ultrafast excited state dynamics of all‐trans‐retinal. Femtosecond transient absorption spectroscopy provides an overview of the excited‐state dynamics of all‐trans‐retinal, and femtosecond‐stimulated Raman and infrared absorption measurements, which have not been reported previously, provide further details of the structural changes in the excited states. Three singlet excited states and one triplet excited state have been identified from these experimental results, which are in good agreement with many previous reports. A change in the energy order of the singlet excited state of all‐trans‐retinal between in polar and nonpolar solvents abruptly modifies the excited state dynamics. The intersystem crossing to the T1
state from the S1
state (nπ*) almost disappears in polar solvents, whereas the fluorescence from S3
and S2
states (ππ*) is almost absent in nonpolar solvents.
Silica Core‐based Surface‐enhanced Raman Scattering (SERS) Tag: Advances in Multifunctional SERS Nanoprobes for Bioimaging and Targeting of Biomarkers#
Authors: Jun Bong‐Hyun , Kim Gunsung , Jeong Sinyoung , Noh Mi Suk , Pham Xuan‐Hung , Kang Homan , Cho Myung‐Haing , Kim Jong‐Ho , Lee Yoon‐Sik , Jeong Dae Hong
Published: October 2023

Surface‐enhanced Raman scattering (SERS) has attracted considerable interest as a sensitive vibration‐specific probe for bioanalytical and imaging applications. Among the various bioprobes available, Ag‐embedded SERS tags have been rigorously developed for an extensive range of biodetection applications. In this review, we look at the additional functionality that SERS tags can offer via its magnetic properties, fluorescence, and an extension of the optical region into the near‐infrared (NIR) spectrum. Such functionality can be achieved by using Ag nanoparticles (NPs) or Au/Ag hollow‐shells (HS) as a SERS signaling unit, with SiO2
nanospheres providing a back‐bone unit. This back‐bone can include a magnetic core (M‐SERS dots), but also provides an outer shell that protects the optical unit and allows for easy conjugation of linkers that can include fluorescent organic dyes for an additional optical unit (F‐SERS dots). In use, M‐SERS dots allow for the separation of target cancer or cancer stem cells with an external magnetic field, while F‐SERS dots can rapidly locate specific proteins within large areas of tissue and simultaneously analyze multiple targets based on their Raman signals. Moreover, NIR SERS dots can be detected with a high sensitivity within deep tissues, thus allowing them to be applied to in vivo multiplex detection. As none of these advanced functional SERS dots exhibit any sign of cytotoxicity for cell lines, they demonstrate a clear potential for more efficient, high‐throughput screening of biological molecules using Raman technology.
Silicon Nanocrystals Synthesized from Silicon Tetrachloride Using Electron Beam Reduction Reaction#
Authors: Lee Don‐Sung , Kang Hyun Suk , Koh Ye‐Seul , Lee Byung Cheol , Jeong Hyun‐Dam
Published: October 2023

Silicon nanocrystals (Si NCs) were synthesized by the electron beam reduction reaction (EBRR). Silicon tetrachloride (SiCl4
), isopropyl alcohol (IPA), and toluene were used as the silicon source, radical scavenger, and solvent, respectively. Three types of sample were prepared: from a solution of SiCl4
and IPA under irradiation by an electron beam (e‐beam) with energy, current, and dose of 1 MeV, 0.2 mA, and 300 kGy, respectively, and from the reactants (SiCl4
‐only or SiCl4
+ IPA) under no e‐beam irradiation. New features in the ultraviolet–visible absorption and photoluminescence spectroscopies for the case of e‐beam irradiation were attributed to the formation of the Si NCs, as confirmed by fast Fourier transform processed image in field‐emission transmission electron microscopy analysis. The possibility of the formation of the Si NCs was also validated by the Gibbs free energy calculations of the proposed reaction mechanism for EBRR of the SiCl4
precursor.
Line Patterning using a Scanning Probe Lithography Technique based on Convolution Method#
Authors: Han Cheolsu , Gwangmin Kwon , Ahn Sang Jung , Lee Haiwon , Chung Chung Choo
Published: October 2023

In this article, we report the development of a fabrication process for predictable line patterns. The proposed process uses two control parameters: the tip speed and step size, with the convolution method. From the oxidation curves, we choose the two oxidation parameters: bias voltage and oxidation time. Given a desired line pattern, these oxidation parameters are then used for calculating the control parameters. The step size is determined by the width of the nanodot profile, and the tip speed is calculated using the step size and the oxidation time. As the overlapping of exposure area happens because of the nanodots located densely, the electrochemical reaction is continuously activated during the line lithography process in the overlapped area so that the amount of overlap can be estimated with the convolution method. From experimental results with a commercial atomic force microscope, we verified that our method is effective in fabricating nanoline patterns.
A Study on Adsorption of Li from Aqueous Solution Using Various Adsorbents
Authors: Kim Daeik , Ryoo Keon Sang
Published: October 2023

The aim of the present study is to explore the possibility of utilizing fly ash, loess and activated charcoal for the adsorption of Li in aqueous solution. Batch adsorption experiments were performed to evaluate the influences of various factors like initial concentration, contact time, and temperature. The adsorption data showed that fly ash and activated charcoal are not effective for the adsorption of Li. On the contrary, loess showed much higher adsorption capacity for Li. The adsorption of Li on loess was highly concentration dependent. It was found that the adsorption capacity of loess is favored at a lower Li concentration. At equilibrium, approximately 95% of adsorption was achieved by loess. The equilibrium data were fitted well to the Freundlich isotherm model. The pseudo‐second‐order kinetic model appeared to be the better‐fitting model because it has higher R
2 compared to the pseudo‐first‐order kinetic models. The thermodynamic parameters such as free energy ΔG, the enthalpy ΔH, and the entropy ΔS were calculated.
A Highly Efficient New T1 MRI Contrast Agent with r2/r1 ≈ 1.0: Mixed Cu(II)/Gd(III) Oxide Nanoparticle
Authors: Bony Badrul Alam , Baeck Jong Su , Chang Yongmin , Bae Ji Eun , Chae Kwon Seok , Lee Gang Ho
Published: October 2023

An ideal
T
1 MRI contrast agent should have a large r
1 value and r
2/r
1 ratio, which is close to 1. In this study, a new approach to accomplish this is presented using the mixed Cu(II)/Gd(III) oxide nanoparticle. The d‐glucuronic acid‐coated Cu(II)/Gd(III) oxide nanoparticle showed r
1 = 13.78 mM−1 s−1 and r
2 = 14.48 mM−1 s−1 (r
2/r
1 = 1.05). This result is due to reduced magnetization of mixed nanoparticle resulting from mixing of nearly nonmagnetic Cu(II) into the nanoparticle. This result shows that the d‐glucuronic acid–coated Cu(II)/Gd(III) oxide nanoparticle is a potential
T
1 MRI contrast agent.
The Studies on Synthesis of LiNi1/3Co1/3Mn1/3O2 (LiNCM) as a Cathode Material Prepared by Thermal Degradation of Oxalate Anion
Authors: Kim Sang Hern
Published: October 2023

In this study, LiNCM [Li(Ni1/3Co1/3Mn1/3)] powder was synthesized by thermal degradation of oxalate anion. It is more stable than LiCoO2
and also has a higher capacity than LiNiO2
. NCM [(Ni1/

3Co1

/

3Mn1

/3)C2O4
·xH2O(s)] was synthesized by mixing ammonium oxalate monohydrate, nickel nitrate hexahydrate, cobalt nitrate hexahydrate, and manganese acetate tetrahydrate in aqueous solution. The solution was centrifuged and the precipitation residue was dried for 3 h at 200 °C. The obtained precursor powder of NCM was mixed with LiOH and sintered at 850 °C for 24 h. Annealing at 500 °C was performed again, to obtain the crystalline form of the LiNCM. With the sintered and annealed LiNCM, cathode was fabricated by mixing polyvinylidene fluoride and Super‐P in N‐methylpyrrolidone. Its charge–discharge voltages profile, C‐rate test, and cycle life test were investigated.
Early developmental support for preterm infants based on exploratory behaviors: A parallel randomized controlled study
Authors: Altunalan Turgay , Sarı Zübeyir , Doğan Tuba Derya , Hacıfazlıoğlu Nilüfer Eldeş , Akman İpek , Altıntaş Tuğba , Uzer Sevil , Akçakaya Nihan Hande
Published: October 2023

Introduction

Preterm infants are at high risk for developmental disabilities, and their parents are at increased risk for high stress. Early intervention programs are applied to reduce these adverse outcomes. The primary aim is to compare the efficacy of the novel Explorer Baby early intervention program for the holistic development of preterm infants. The second objective was to compare the stress levels of their mothers.

Methods

Randomized clinical trial with 38 weeks–6 months corrected age preterm infants at low risk for cerebral palsy, randomly assigned to experimental (Explorer Baby) or active control neurodevelopmental therapy (NDT) groups. Fifty‐seven infants were enrolled in the study, and 51 (26 Explorer Baby, 25 NDT) completed it. Bayley III was used as a primary outcome before, during, and after the intervention.

Results

When we compared the changes between the groups before and after therapy, no significant differences were found in any of the primary or secondary outcomes (between‐group comparisons). When comparing the changes in both groups before and after therapy (in‐group comparison), the Explorer Baby group demonstrated significant improvements in cognitive (Hedges’ g = .83) and explorative language skills (Hedges’ g = .65), whereas the NDT group showed improved parent–child dysfunctional interaction (Hedges’ g = 2.66) between T0–T1 and T0–T2.

Conclusions

The Explorer Baby early intervention program may be a preferred option to support premature infants without brain injury, as it shows greater skill acquisition than NDT, although not statistically significant. Both methods are safe as they support premature babies without negatively affecting mothers’ overall stress levels.
Open Access Publishing Models and How OA Can Work in the Humanities
Authors: Eve Martin Paul
Published: October 2023

EDITOR'S SUMMARY

Open access (OA) has been shaping and benefitting the scientific community for years now, but this new wave of disseminating research freely has not quite taken hold in the field of humanities. Though humanities publishers could also benefit from an OA model, many have been resistant, citing possible issues with plagiarism or appropriation of an author's work for less than ideal uses. There are also challenges with the cost of publishing OA content, which for humanities could be much higher than in the scientific community due to the length of works produced. Some institutions have taken to charging authors to publish their content in an OA model, while others have opted for a membership structure or joining a consortium of other institutions, such as Knowledge Unlatched or the Open Library of Humanities. While many great strides have been taken to bring OA to humanities, there is still work to do to make the study of humanity accessible to all.
N‐Sulfonyl‐1,2,3,4‐tetrahydroisoquinoline Derivatives: Synthesis, Antimicrobial Evaluations, and Theoretical Insights
Authors: Rinaldi Tosi Martín E. , Palermo Valeria , Giannini Fernando A. , Fernández Baldo Martín A. , Díaz Jorge R. A. , Lima Beatriz , Feresin Gabriela E. , Romanelli Gustavo P. , Baldoni Héctor A.
Published: October 2023

Microbial contamination remains a significant economic challenge in the food industry, emphasizing the need for innovative antimicrobial solutions. In this study, we synthesized N‐sulfonyl‐1,2,3,4‐tetrahydroisoquinolines (NSTHIQ) derivatives using an environmentally friendly Preyssler heteropolyacid catalyst, obtaining moderate to high yields (35–91 %) under mild conditions. Two derivatives (5 and 6) exhibited significant antifungal properties against various fungal species, including Aspergillus spp, Penicillium spp, and Botrytis cinerea. ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) analysis revealed the absence of hepatic toxicity in all compounds, making derivatives 2, 3, 4, and 5 potential candidates for further development. However, derivatives 6 and 7 exhibited immunotoxicity. In support of our experimental findings, reactivity indices were computed using Density Functional Theory principles, deriving valuable insights into the chemical properties of these derivatives. This study underscores the potential of NSTHIQ compounds as potent antifungal agents, coupled with the importance of employing environmentally friendly catalysts in drug discovery.
Probing the Visible Light‐Driven Geometrical Isomerization of 4‐Arylbut‐3‐ene‐2‐amines
Authors: Schoch Timothy , Wyneken Hannah , Despain Megan , Weaver Jimmie D.
Published: October 2023

A series of thirteen 4‐arylbut‐3‐ene‐2‐amines were prepared and subjected to photosensitization experiments to interrogate their photostationary state (PS) composition of geometrical olefin isomers (E and Z). The amine PS compositions were found to depend on arene structure and temperature, while being largely independent of nitrogen substitution, solvent, or presence of triplet‐quenching oxygen. Photonic efficiency of isomerization (ζp) was found to depend on amine structure, solvent choice, and presence of quencher. With the proper choice of conditions, ζp was able to closely approach the theoretical maximum value of 0.5.
Annulation of a Methylenecyclopropane with Cyanoalkenes Catalyzed by Lewis Bases
Authors: Suzuki Itaru , Kasahara Nozomi , Ogura Kazuki , Shibata Ikuya
Published: October 2023

The annulation of a methylenecyclopropane with acyl cyanoalkenes by using DABCO or quinuclidine as a catalyst to give 2,3‐dihydofurans has been developed. A stoichiometric amount of the Lewis bases promoted the isomerization of 2,3‐dihydrofurans to furans. 1H NMR spectra of the reaction in situ revealed that the methylenecyclopropane is opened by the Lewis base to form a reaction intermediate that is added to the cyanoalkenes.
Design of 3‐Phenylcoumarins and 3‐Thienylcoumarins as Potent Xanthine Oxidase Inhibitors: Synthesis, Biological Evaluation, and Docking Studies
Authors: Fais Antonella , Pintus Francesca , Era Benedetta , Floris Sonia , Kumar Amit , Sarmadhikari Debapriyo , Sogos Valeria , Uriarte Eugenio , Asthana Shailendra , Matos Maria João
Published: October 2023

Coumarin scaffold has proven to be promising in the development of bioactive agents, such as xanthine oxidase (XO) inhibitors. Novel hydroxylated 3‐arylcoumarins were designed, synthesized, and evaluated for their XO inhibition and antioxidant properties. 3‐(3’‐Bromophenyl)‐5,7‐dihydroxycoumarin (compound 11) proved to be the most potent XO inhibitor, with an IC50 of 91 nM, being 162 times better than allopurinol, one of the reference controls. Kinetic analysis of compound 11 and compound 5 [3‐(4’‐bromothien‐2’‐yl)‐5,7‐dihydroxycoumarin], the second‐best compound within the series (IC50 of 280 nM), has been performed, and both compounds showed a mixed‐type inhibition. Both compounds present good antioxidant activity (ability to scavenge ABTS radical) and are able to reduce reactive oxygen species (ROS) levels in H2O2‐treated cells. In addition, they proved to be non‐cytotoxic in a Caco‐2 cells viability assay. Molecular docking studies have been carried out to correlate the compounds’ theoretical and experimental binding affinity to the XO binding pocket.
Integrating Electron Paramagnetic Resonance Spectroscopy and Computational Modeling to Measure Protein Structure and Dynamics
Authors: Bogetti Xiaowei , Saxena Sunil
Published: October 2023

Electron paramagnetic resonance (EPR) has become a powerful probe of conformational heterogeneity and dynamics of biomolecules. In this Review, we discuss different computational modeling techniques that enrich the interpretation of EPR measurements of dynamics or distance restraints. A variety of spin labels are surveyed to provide a background for the discussion of modeling tools. Molecular dynamics (MD) simulations of models containing spin labels provide dynamical properties of biomolecules and their labels. These simulations can be used to predict EPR spectra, sample stable conformations and sample rotameric preferences of label sidechains. For molecular motions longer than milliseconds, enhanced sampling strategies and de novo prediction software incorporating or validated by EPR measurements are able to efficiently refine or predict protein conformations, respectively. To sample large‐amplitude conformational transition, a coarse‐grained or an atomistic weighted ensemble (WE) strategy can be guided with EPR insights. Looking forward, we anticipate an integrative strategy for efficient sampling of alternate conformations by de novo predictions, followed by validations by systematic EPR measurements and MD simulations. Continuous pathways between alternate states can be further sampled by WE‐MD including all intermediate states.
A Human Neuron/Astrocyte Co‐culture to Model Seeded and Spontaneous Intraneuronal Tau Aggregation
Authors: Batenburg Kevin Llewelyn , Rohde Susan Karijn , Cornelissen‐Steijger Paulien , Breeuwsma Nicole , Heine Vivi Majella , Scheper Wiep
Published: October 2023

Communication and contact between neurons and astrocytes is important for proper brain physiology. How neuron/astrocyte crosstalk is affected by intraneuronal tau aggregation in neurodegenerative tauopathies is largely elusive. Human induced pluripotent stem cell (iPSC)‐derived neurons provide the opportunity to model tau pathology in a translationally relevant in vitro context. However, current iPSC models inefficiently develop tau aggregates, and co‐culture models of tau pathology have thus far utilized rodent astrocytes. In this article, we describe the co‐culture of human iPSC‐derived neurons with primary human astrocytes in a 96‐well format compatible with high‐content microscopy. By lentiviral overexpression of different mutated tau variants, this protocol can be flexibly adapted for the efficient induction of seeded or spontaneous tau aggregation. We used this novel co‐culture model to identify cell type–specific disease mechanisms and to provide proof of concept for intervention by antisense therapy. These results show that this human co‐culture model provides a highly translational tool for target discovery and drug development for human tauopathies. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.

This article was corrected on 28 January 2025. See the end of the full text for details.

Basic Protocol: Human neuron/astrocyte co‐culture for seeded and spontaneous intraneuronal tau aggregation

Support Protocol 1: Human induced pluripotent stem cell culture

Support Protocol 2: Human primary astrocyte culture
Shared resource lab (SRL) strategies for supporting high‐dimensional cytometry data analysis
Authors: Gravano David M. , Rieger Aja M. , Nettenstrom Lauren , Hall Christopher , Ferrer‐Font Laura
Published: October 2023

With the increase in the number of parameters that can be detected at the single‐cell level using flow and mass cytometry, there has been a paradigm shift when handling and analyzing data sets. Cytometry Shared Resource Laboratories (SRLs) already take on the responsibility of ensuring users have resources and training in experimental design and operation of instruments to promote high‐quality data acquisition. However, the role of SRLs downstream, during data handling and analysis, is not as well defined and agreed upon. Best practices dictate a central role for SRLs in this process as they are in a pivotal position to support research in this context, but key considerations about how to effectively fill this role need to be addressed. Two surveys and one workshop at CYTO 2022 in Philadelphia, PA, were performed to gain insight into what strategies SRLs are successfully employing to support high‐dimensional data analysis and where SRLs and their users see limitations and long‐term challenges in this area. Recommendations for high‐dimensional data analysis support provided by SRLs will be offered and discussed.
Remote management of worsening heart failure to avoid hospitalization in a real‐world setting
Authors: Ploux Sylvain , Strik Marc , Ramirez F. Daniel , Buliard Samuel , Chauvel Rémi , Dos Santos Pierre , Haïssaguerre Michel , Jobbé‐Duval Antoine , Picard François , Riocreux Clément , Eschalier Romain , Bordachar Pierre
Published: October 2023

Aims

From a patient and health system perspective, managing worsening heart failure (WHF) as an outpatient has become a priority. Remote management allows early detection of WHF, enabling timely intervention with the aim of preventing hospitalization. The objective of the study was to evaluate the feasibility and safety of remotely managing WHF events using a multiparametric platform.

Methods and results

All patients enrolled in the heart failure remote management programme of the Bordeaux University Hospital Telemedicine Center between 1 January and 31 December 2021 were included in the study. Follow‐up data were collected until 1 March 2022. Inclusion criteria were chronic heart failure (HF) with New York Heart Association ≥II symptoms and an elevated B‐type natriuretic peptide (BNP > 100 pg/mL or N‐terminal‐pro‐BNP > 1000 pg/mL). Patient assessments were performed remotely and included measurements of body weight, blood pressure, heart rate, symptoms, biochemical parameters, and data from cardiac implantable electronic devices when available. In total, 161 patients (71 ± 11 years old, 79% male) were followed for a mean of 291 ± 66 days with a mean adherence to the remote monitoring system of 80 ± 20%. Over this period, 52 (32.3%) patients had 105 WHF events, of which 66 (63%) were successfully managed remotely, the remaining requiring hospitalization. Freedom from WHF events and hospitalization at 300 days were 66% and 85%, respectively (P < 0.001 for the difference). Increased level of BNP was associated with an increased risk of WHF event [hazard ratio (HR) per unit increase in BNP: 1.001; 95% confidence interval (CI) 1–1.002; P = 0.001] and hospitalization (HR 1.002; 95% CI 1.002–1.003; P = 0.002). A decrease in the level of glomerular filtration rate was associated with an increased risk of hospitalization (HR per unit decrease in estimated glomerular filtration rate: 0.946; 95% CI 0.906–0.989; P = 0.014). WHF event recurrence and (re)hospitalization rates at 1‐month were similar among patients managed remotely (18% and 12%, respectively) and those requiring hospitalization (21% and 10%, respectively). Iatrogenic complications occurred more often during hospitalization than remote management (26% vs. 3%, P < 0.001).

Conclusions

Our study suggests that remote management of WHF events based on a multiparametric approach led by a telemedical centre is feasible and safe. Adopting such a strategy for patients with chronic HF could reduce HF‐related hospitalizations with expected benefits for patients, care providers, and health care systems.
Multianalyte analysis of volatile compounds in virgin olive oils using SPME‐GC with FID or MS detection: results of an international interlaboratory validation
Authors: García‐González Diego L. , Casadei Enrico , Aparicio‐Ruiz Ramón , Ortiz Romero Clemente , Valli Enrico , Brereton Paul , Koidis Anastasios , Korytkowska Martyna , Servili Maurizio , Selvaggini Roberto , Lacoste Florence , Escobessa Julien , Vichi Stefania , Quintanilla‐Casas Beatriz , Tres Alba , Golay Pierre‐Alain , Lucci Paolo , Moret Erica , Bendini Alessandra , Gallina Toschi Tullia
Published: October 2023

The organoleptic assessment (Panel test) is the only procedure within the official methods for determining the quality of virgin olive oils that involves an expert panel. There is an urgent need for analytical methodology that can reliably measure volatile compounds in virgin olive oils that is capable of supporting and anticipating the official Panel test. For this reason, a new method based on solid‐phase microextraction–gas chromatography with the choice of two possible detectors (FID or MS) was subjected to a large international interlaboratory validation study. The study involved a two‐stage process: first, a pretrial phase in which 7 participants were exposed to the method for the first time to identify any initial problems with the methodology; then, a formal validation stage (trial proper), which involved 20 laboratories from Europe, USA, Japan and China. The performance of the different detectors was investigated. While both methods have advantages, the method using FID provided better results for 11 compounds, in terms of reproducibility, compared to MS. This information will allow to implement the method with accurate information of the method performance depending on the detector used.

Practical Applications: This study provides information from an interlaboratory validation of a method for measuring volatile compounds in virgin olive oils conducted with laboratories (from industry and academia) working in the olive oil sector. The information on the expected analytical errors in the determination of each volatile compound is necessary to apply this method for supporting the official Panel test (sensory analysis). The SPME‐GC‐MS/FID methods proposed in this work can be used for the internal quality control of a company/distributor/quality control laboratory and could also be used in cases of difficult/contradictory organoleptic assessment, or to confirm results from sensory panels in cases of disputes/disagreement (Reg. EU 2022/2105).
Globally Distributed Production and the Pricing of CME Commodity Futures
Authors: Merener Nicolas
Published: October 2023

I investigate how local supply shocks in the globally distributed production of commodities are incorporated into Chicago Mercantile Exchange (CME) futures prices. I exploit that the soybean market share of the United States (Argentina) decreased (increased) between 1996 and 2010, and use rain, which tends to increase output, as a source of exogenous supply shocks. I find a significantly negative response of CME soybean prices to daily rain across regions and time. Moreover, the impact of local rain on the CME price is approximately linear in the time‐varying local share of global output. Therefore, traders of CME contracts seem to aggregate supply in a globally integrated manner and are exposed to globally distributed shocks. © 2013 Wiley Periodicals, Inc. Jrl Fut Mark 35:1–30, 2015