bluuebunny/crossref_metadata_2025_split huggingface dataset:
Simultaneous Formation of Isomeric and Polycyclic Proton Sponges Derived from 1,8‐Diaminonaphthalenes and Xylylene Dibromides
Authors: Kolupaeva Ekaterina V. , Ozeryanskii Valery A. 
Published: February 2023

AbstractThe interaction of 1,8‐diaminonaphthalene with o‐xylylene dibromide leads to two topologically relevant isomeric products, 1,8‐di(isoindolin‐2‐yl)naphthalene (reported previously), and its structural isomer with the bridgehead nitrogens in a bicyclic system (reported for the first time). This is the first case of isolating two heterocyclic analogs of 1,8‐bis(dimethylamino)naphthalene (proton sponge or DMAN) in one reaction. Both isomers are formed in parallel reactions and are not interconverted upon acid treatment. The first representative of heterocyclic “amide proton sponges”, which is still able to participate in intramolecular protonation due to the amide nitrogen atom, was synthesized by direct oxidation of the corresponding isoindoline derivative. Using p‐xylylene dibromide as a bridging bielectrophile, a macroheterocyclization was effectively realized to construct the first paracyclophane extended by two DMAN subunits. Mostly driven by the proximity effect, the molecular structure, unusual protonation trends and reactivity of peri‐diaminonaphthalenes N‐linked with o‐ and p‐xylylene fragments are also discussed.
Transglycosylation Reaction: Synthesis and Supramolecular Study of Carbohydrate‐Cased C2‐Symmetric 20‐ and 22‐Membered Macrocyclic Dinucleosides
Authors: Hudait Nandagopal , Karmakar Arun , Basu Arpan , Kar Binoy , Bhuyan Samuzal , Chhetri Karan , Kundu Subrata , Gopal Roy Biswajit , Sengupta Jhimli 
Published: February 2023

AbstractBis‐uracil nucleoside, in which the nucleobase is anchored to C2‐symmetric 22‐membered macrocycle (CSM‐3), was synthesized by nucleosidation of 1,2‐isopropylidenefuranose ring‐fused macrocycle. The bis‐uracil nucleoside exhibited petal flake‐like morphology in ethanolic solution. A change from petal‐like to bundle‐like morphology was observed on the addition of N6‐aminobenzoyl purine to the bis‐uracil nucleoside.
A New Urokinase Plasminogen Activator Receptor‐Targeted Near‐Infrared Fluorescence (NIR) Probe for Glioma Imaging
Authors: Han Yunfeng , Tu Le , Zhang Yongxue , Liu Qiuyu , Dong Qingjian , Sun Ziyan 
Published: February 2023

AbstractA new fluorescent imaging probe indocyanine green‐VC (ICG‐VC) in the second near‐infrared window (NIR‐II) was fabricated based on the urokinase‐type plasminogen activator receptor (uPAR) targeted polypeptide VC (VSNKYFSNIHWGC). The relative quantum yield (ΦF)was 0.34 %. The tail of its fluorescence emission wavelength exceeded 1000 nm with excellent photostability. In vitro cell analysis, MTT results indicated the high biocompatibility of ICG‐VC with U87MG cells. ICG‐VC showed good photothermal conversion behavior and photothermal stability.In vivo NIR‐II fluorescence imaging, ICG‐VC exhibited high spatiotemporal resolution in the lymphatic vessels with a high resolution of 717 μm and signal‐to‐noise ratio of 4.36, and displayed an excellent U87MG tumor uptake within 4 h, which reached the maximum at 8 h with a signal‐to‐noise ratio of 5.32.
Anti‐Diabetic Activity of Flavonol Glucosides From Fumana montana Pomel: In vitro Analysis, In Silico Docking, ADMET Prediction, and Molecular Dynamics Simulations
Authors: Laraoui Habiba , Lanez Elhafnaoui , Zegheb Nadjiba , Adaika Aicha , Lanez Touhami , Benkhaled Mohammed 
Published: February 2023

AbstractOne of the major challenges in type 2 diabetes is the inhibition of the enzyme alpha‐amylase, since many molecules targeting this enzyme based on or derived from medicinal plants have been synthesized to counteract the α‐amylase action. The present study investigated the in‐vitro and in‐silico antidiabetic capacities of three flavonol glucosides obtained from the plant Fumana montana Pomel using α‐amylase inhibition model. α‐amylase binding interaction with the studied compounds was examined using ultraviolet‐visible absorption spectroscopy technique. Molecular docking and ADMET prediction were also performed for the three phytoconstituents towards human pancreatic alpha‐amylase receptor. The in vitro results revealed that both compound FG1 and FG3 showed a higher antidiabetic activity (84.00±0.12 and 85.36±0.12 μg/ml respectively) than that of standard antidiabetic acarbose (91.12±0.11). The value of the binding free energy ranging from −31.66±0.07 to −32.68±0.03 KJ mol−1 demonstrated the spontaneity and the strong binding betweenα‐amylase and the studied phytoconstituents. Molecular docking study indicated the preferred binding site and binding mode, and further suggested that the binding mode of the three compounds to the target enzyme is of hydrogen bonding and hydrophobic forces. Further analysis by molecular dynamic simulation studies showed that FG2 was stable in the HPA active site. In vitro and in‐silico results showed that the studied phytoconstituents interacted with α‐amylase and their binding interaction resulted in reduction of the enzyme's activity.
Esterase‐Activated, pH‐Responsive, and Genetically Targetable Nano‐Prodrug for Cancer Cell Photo‐Ablation
Authors: Liang Pingping , Zhang Yuanying , Schmidt Brigitte F , Ballou Byron , Qian Wei , Dong Ziyi , Wu Jiahui , Wang Lingling , Bruchez Marcel P , Dong Xiaochen 
Published: February 2023

AbstractActivatable prodrugs have drawn considerable attention for cancer cell ablation owing to their high specificity in drug delivery systems. However, phototheranostic prodrugs with dual organelle‐targeting and synergistic effects are still rare due to low intelligence of their structures. Besides, the cell membrane, exocytosis, and diffusional hindrance by the extracellular matrix reduce drug uptake. Moreover, the up‐regulation of heat shock protein and short singlet‐oxygen lifetime in cancer cells hamper photo‐ablation efficacy, especially in the mono‐therapeutic model. To overcome those obstacles, we prepare an esterase‐activated DM nano‐prodrug, which is conjugated by diiodine‐substituted fluorogenic malachite green derivative (MG‐2I) and phototherapeutic agent DPP‐OH via hydrolyzable ester linkage, having pH‐responsiveness and genetically targetable activity for dual organelles‐targeting to optimize photo‐ablation efficacy. The DM nanoparticles (NPs) present improved pH‐responsive photothermal/photodynamic property by the protonation of diethylaminophenyl units in acidic environment. More importantly, the MG‐2I and DPP‐OH moieties can be released from DM nano‐prodrug through overexpressed esterase; then specifically target lysosomes and mitochondria in CT‐26 Mito‐FAP cells. Hence, near‐infrared DM NPs can trigger parallel damage in dual‐organelles with strong fluorescence and effective phototoxicity, thus inducing serious mitochondrial dysfunction and apoptotic death, showing excellent photo‐ablation effect based on esterase‐activated, pH‐responsive, and genetically targetable activities.
Efficient Hydrogen Evolution via 1T‐MoS2/Chlorophyll‐a Heterostructure: Way Toward Metal Free Green Catalyst
Authors: Das Debmallya , Manna Jhimli , Bhattacharyya Tarun Kanti 
Published: February 2023

AbstractElectrocatalytic hydrogen evolution reaction (HER) is regarded as a sustainable and green way for H2 generation, which faces a great challenge in designing highly active, stable electrocatalysts to replace the state‐of‐art noble metal‐platinum catalysts. 1T MoS2 is highly promising in this regard, but the synthesis and stability of this is a particularly pressing task. Here, a phase engineering strategy has been proposed to achieve a stable, high‐percentage (88%) 1T MoS2/chlorophyll‐a hetero‐nanostructure, through a photo‐induced donation of anti‐bonding electrons from chlorophyll‐a (CHL‐a) highest occupied molecular orbital to 2H MoS2 lowest unoccupied molecular orbital. The resultant catalyst has abundant binding sites provided by the coordination of magnesium atom in the CHL‐a macro‐cycle, featuring higher binding strength and low Gibbs‐free energy. This metal‐free heterostructure exhibits excellent stability via band renormalization of Mo 4d orbital which creates the pseudogap‐like structure by lifting the degeneracy of projected density of state with 4S in 1T MoS2. It shows extremely low overpotential, toward the acidic HER (68 mV at the current density of 10 mA cm−2), very close to the Pt/C catalyst (53 mV). The high electrochemical‐surface‐area and electrochemical turnover frequency support enhanced active sites along with near zero Gibbs free energy. Such a surface‐reconstruction strategy provides a new avenue toward the production of efficient non‐noble‐metal‐catalysts for the HER with the aim of green‐hydrogen production.
Generalization of Self‐Assembly Toward Differently Shaped Colloidal Nanoparticles for Plasmonic Superlattices
Authors: Charconnet Mathias , Korsa Matiyas Tsegay , Petersen Søren , Plou Javier , Hanske Christoph , Adam Jost , Seifert Andreas 
Published: February 2023

AbstractPeriodic superlattices of noble metal nanoparticles
have demonstrated superior plasmonic properties compared to randomly distributed plasmonic arrangements due to near‐field coupling and constructive far‐field interference. Here, a chemically driven, templated self‐assembly process of colloidal gold nanoparticles is investigated and optimized, and the technology is extended toward a generalized assembly process for variously shaped particles, such as spheres, rods, and triangles. The process yields periodic superlattices of homogenous nanoparticle clusters on a centimeter scale. Electromagnetically simulated absorption spectra and corresponding experimental extinction measurements demonstrate excellent agreement in the far‐field for all particle types and different lattice periods. The electromagnetic simulations reveal the specific nano‐cluster near‐field behavior, predicting the experimental findings provided by surface‐enhanced Raman scattering measurements. It turns out that periodic arrays of spherical nanoparticles produce higher surface‐enhanced Raman scattering enhancement factors than particles with less symmetry as a result of very well‐defined strong hotspots.
Vanadium and Niobium MXenes—Bilayered V2O5 Asymmetric Supercapacitors
Authors: Saraf Mohit , Zhang Teng , Averianov Timofey , Shuck Christopher E. , Lord Robert W. , Pomerantseva Ekaterina , Gogotsi Yury 
Published: February 2023

AbstractMXenes offer high metallic conductivity and redox capacitance that are attractive for high‐power, high‐energy storage devices. However, they operate limitedly under high anodic potentials due to irreversible oxidation. Pairing them with oxides to design asymmetric supercapacitors may expand the voltage window and increase the energy storage capabilities. Hydrated lithium preintercalated bilayered V2O5 ( δ‐LixV2O5·nH2O) is attractive for aqueous energy storage due to its high Li capacity at high potentials; however, its poor cyclability remains a challenge. To overcome its limitations and achieve a wide voltage window and excellent cyclability, it is combined with V2C and Nb4C3 MXenes. Asymmetric supercapacitors employing lithium intercalated V2C (Li‐V2C) or tetramethylammonium intercalated Nb4C3 (TMA‐Nb4C3) MXenes as the negative electrode, and a δ‐LixV2O5·nH2O composite with carbon nanotubes as the positive electrode in 5 m LiCl electrolyte operate over wide voltage windows of 2 and 1.6 V, respectively. The latter shows remarkably high cyclability—capacitance retention of ≈95% after 10 000 cycles. This work highlights the importance of selecting appropriate MXenes to achieve a wide voltage window and a long cycle life in combination with oxide anodes to demonstrate the potential of MXenes beyond Ti3C2 in energy storage.
Double‐Transition‐Metal MXene Films Promoting Deeply Rechargeable Magnesium Metal Batteries
Authors: Li Yuanjian , Lieu Wei Ying , Ghosh Tanmay , Fu Lin , Feng Xiang , Wong Andrew Jun Yao , Thakur Anupma , Wyatt Brian C. , Anasori Babak , Zhang Qianfan , Yang Hui Ying , Seh Zhi Wei 
Published: February 2023

AbstractMagnesium metal batteries are promising candidates for next‐generation high‐energy‐density and low‐cost energy storage systems. Their application, however, is precluded by infinite relative volume changes and inevitable side reactions of Mg metal anodes. These issues become more pronounced at large areal capacities that are required for practical batteries. Herein, for the first time, double‐transition‐metal MXene films are developed to promote deeply rechargeable magnesium metal batteries using Mo2Ti2C3 as a representative example. The freestanding Mo2Ti2C3 films, which are prepared using a simple vacuum filtration method, possess good electronic conductivity, unique surface chemistry, and high mechanical modulus. These superior electro‐chemo‐mechanical merits of Mo2Ti2C3 films help to accelerate electrons/ions transfer, suppress electrolyte decomposition and dead Mg formation, as well as maintain electrode structural integrity during long‐term and large‐capacity operation. As a result, the as‐developed Mo2Ti2C3 films exhibit reversible Mg plating/stripping with high Coulombic efficiency of 99.3% at a record‐high capacity of 15 mAh cm−2. This work not only sheds innovative insights into current collector design for deeply cyclable Mg metal anodes, but also paves the way for the application of double‐transition‐metal MXene materials in other alkali and alkaline earth metal batteries.
Covalently Functionalized MXenes for Highly Sensitive Humidity Sensors
Authors: Janica Iwona , Montes‐García Verónica , Urban Francesca , Hashemi Payam , Nia Ali Shaygan , Feng Xinliang , Samorì Paolo , Ciesielski Artur 
Published: February 2023

AbstractTransition metal carbides and nitrides (MXenes) are an emerging class of 2D materials, which are attracting ever‐growing attention due to their remarkable physicochemical properties. The presence of various surface functional groups on MXenes’ surface, e.g., F, O, OH, Cl, opens the possibility to tune their properties through chemical functionalization approaches. However, only a few methods have been explored for the covalent functionalization of MXenes and include diazonium salt grafting and silylation reactions. Here, an unprecedented two‐step functionalization of Ti3C2Tx MXenes is reported, where (3‐aminopropyl)triethoxysilane is covalently tethered to Ti3C2Tx and serves as an anchoring unit for subsequent attachment of various organic bromides via the formation of CN bonds. Thin films of Ti3C2Tx functionalized with linear chains possessing increased hydrophilicity are employed for the fabrication of chemiresistive humidity sensors. The devices exhibit a broad operation range (0–100% relative humidity), high sensitivity (0.777 or 3.035), a fast response/recovery time (0.24/0.40 s ΔH−1, respectively), and high selectivity to water in the presence of saturated vapors of organic compounds. Importantly, our Ti3C2Tx‐based sensors display the largest operating range and a sensitivity beyond the state of the art of MXenes‐based humidity sensors. Such outstanding performance makes the sensors suitable for real‐time monitoring applications.
Back‐extraction applied to green matrix solid‐phase dispersion for fungicides determination in tomatoes
Authors: Gallo Valeria , Della Posta Susanna , Gentili Alessandra , Gherardi Monica , De Gara Laura , Fanali Chiara 
Published: February 2023

AbstractMatrix solid‐phase dispersion is an alternate technique to simultaneously extract and clean up pesticides from food matrices. In recent years, deep eutectic solvents have been applied to replace common organic solvents in various extraction techniques. One of the drawbacks of deep eutectic solvents is the impracticality of their evaporation, leading to higher limits of quantification. In this work, a deep eutectic solvent‐based extraction followed by liquid‐liquid back‐extraction was carried out to extract five triazole fungicides from tomato samples followed by high‐performance liquid chromatography‐mass spectrometry analysis. For this purpose, choline chloride‐ethylene glycol in a molar ratio of 1:2 and ethyl acetate was used as a deep eutectic‐organic solvent system. Alumina was used as a dispersant sorbent in a 1‐to‐5 w/w sample‐to‐dispersant ratio. Volumes of 4.5 ml of deep eutectic solvents and 2 ml ethyl acetate were the best choices for back‐extraction. The method was fully validated. The limit of quantification was in the range of 5–11 ng/g. Intra‐day and inter‐day precision ranged between 3% and 14%, respectively. Extraction recoveries varied from 61% to 116%. The matrix effect was also evaluated.
Liquid chromatographic method for simultaneous estimation of anti‐hypertensive drug combination Azilsartan Medoxomil and Cilnidipine
Authors: Solanki Dhavalsinh P. , Panday Vishal R. , Shah Dimal A. , Chhalotiya Usmangani , Tandel Jinal N. , Kacchiya Heta M. 
Published: February 2023

AbstractA combination of Azilsartan Medoxomil and Cilnidipine is prescribed in the treatment of Hypertension. An accurate and precise high‐performance liquid chromatographic method has been developed for the estimation of Azilsartan Medoxomil and Cilnidipine in a combined tablet dosage form. Symmetry C18 (250 × 4.6 mm, 5 μm) column was used as the stationary phase, and methanol:water (85:15 v/v; pH 3.5) was used as the mobile phase. The method was linear in the concentration range of 4–20 μg/ml for Azilsartan Medoxomil and 1–5 μg/ml for Cilnidipine with a correlation coefficient (r2) 0.995 for Azilsartan Medoxomil and 0.995 for Cilnidipine. The proposed method was validated with respect to linearity, accuracy, precision, and robustness as per International Council on Harmonization Q2 (R1) guideline. A forced degradation study was performed to find out the intrinsic stability of the molecules. The degradation products were well resolved from the drug peak and did not interfere with the analysis. The method was successfully applied for the analysis of Azilsartan Medoxomil and Cilnidipine in combined tablet formulation.
Making “Small Waves of Change”: Dual Language and General Education Teacher Transformation through Instructional Coaching
Authors: Renn Jennifer , Li Haiyan , Choi Woongsik , Wright Wayne , Morita‐Mullaney Trish 
Published: February 2023

AbstractThis multisite qualitative case study explores ways in which instructional coaching focused on English language development (content) and teachers' individual beliefs (process) can help general education and dual language bilingual education elementary teachers work within and through perceived institutional barriers to improve their language and literacy instruction for designated English language learners (ELLs). In practice, much literacy coaching in schools is often finite and fidelity‐oriented yet coaching grounded in constructivism empowers and emboldens teachers to become agents of change. Using the Vygotsky Space theoretical framework, we draw on multiple data sources generated during classroom observations, sessions with an instructional coach, and postprogram interviews to examine how 12 teachers moved through the stages ofappropriation,transformation,publication, andconventionalizationover the course of a 2‐year period. Results show that teachers exhibited meaningful shifts in their beliefs and teaching practices for ELLs during their coaching experience, but that sharing and internalizing those changes are protracted processes. We also identified two additional phases in the Vygotsky Space cycle:prepublication, where teachers expressed desires and plans to share new ideas, andscale‐up, where teachers began to reach individuals and institutions beyond their initial context.
Significance of Kampo medicine for cancer supportive care: Overview
Authors: Motoo Yoshiharu , Cameron Silke 
Published: February 2023

AbstractBackgroundCancer has been the number one cause of death in Japan since 1981. Advanced or recurrent cancers need strong chemotherapies to control their growth. On the other hand, tumor‐bearing patients experience pain, fatigue, anorexia, cold sensation, sarcopenia, and frailty. Surgery and radiation therapy also cause adverse events such as ileus, infection, oral mucositis and diarrhea.ProblemsCancer supportive care includes all measures to prevent or ameliorate side effects of any treatments including anti‐cancer agents, with physical, mental, social, and spiritual care (survivorship care). Neutropenia and nausea/vomiting are generally well controlled in clinical settings owing to the progress in granulocyte‐colony stimulating factors and anti‐emetics. However, anorexia, general malaise, and peripheral neuropathy are refractory to modern medical care.SolutionsRecently, evidence is accumulating on the efficacy of Kampo medicines in the management of refractory symptoms. Furthermore, action mechanisms of each Kampo formula and its components have been elucidated by basic research.ConclusionsIn this symposium, we learned state‐of‐the art progress in basic and clinical research in the field of cancer supportive care. In addition to the reports on the Japanese situation, we listened to German viewpoints on this theme.
Divisor-bounded multiplicative functions in short intervals
Authors: Mangerel Alexander P. 
Published: February 2023

AbstractWe extend the Matomäki–Radziwiłł theorem to a large collection of unbounded multiplicative functions that are uniformly bounded, but not necessarily bounded by 1, on the primes. Our result allows us to estimate averages of such a function f in typical intervals of length $$h(\log X)^c$$

h

(
log
X
)

c

, with $$h = h(X) \rightarrow \infty $$

h
=
h
(
X
)
→
∞

and where $$c = c_f \ge 0$$

c
=

c
f

≥
0

is determined by the distribution of $$\{|f(p) |\}_p$$

{
|
f

(
p
)

|
}

p

in an explicit way. We give three applications. First, we show that the classical Rankin–Selberg-type asymptotic formula for partial sums of $$|\lambda _f(n) |^2$$

|

λ
f

(
n
)

|

2

, where $$\{\lambda _f(n)\}_n$$

{

λ
f

(
n
)

}

n

is the sequence of normalized Fourier coefficients of a primitive non-CM holomorphic cusp form, persists in typical short intervals of length $$h\log X$$

h
log
X

, if $$h = h(X) \rightarrow \infty $$

h
=
h
(
X
)
→
∞

. We also generalize this result to sequences $$\{|\lambda _{\pi }(n) |^2\}_n$$

{
|

λ
π

(
n
)

|
2

}

n

, where $$\lambda _{\pi }(n)$$

λ
π

(
n
)

is the nth coefficient of the standard L-function of an automorphic representation $$\pi $$
π
with unitary central character for $$GL_m$$

G

L
m

, $$m \ge 2$$

m
≥
2

, provided $$\pi $$
π
satisfies the generalized Ramanujan conjecture. Second, using recent developments in the theory of automorphic forms we estimate the variance of averages of all positive real moments $$\{|\lambda _f(n) |^{\alpha }\}_n$$

{
|

λ
f

(
n
)

|
α

}

n

over intervals of length $$h(\log X)^{c_{\alpha }}$$

h

(
log
X
)

c
α

, with $$c_{\alpha } > 0$$

c
α

>
0

explicit, for any $$\alpha > 0$$

α
>
0

, as $$h = h(X) \rightarrow \infty $$

h
=
h
(
X
)
→
∞

. Finally, we show that the (non-multiplicative) Hooley $$\Delta $$
Δ
-function has average value $$\gg \log \log X$$

≫
log
log
X

in typical short intervals of length $$(\log X)^{1/2+\eta }$$

(
log
X
)

1
/
2
+
η

, where $$\eta >0$$

η
>
0

is fixed.