bluuebunny/crossref_metadata_2025 huggingface dataset:
T-Cell Malignant Neoplasms After Chimeric Antigen Receptor T-Cell Therapy
Authors: Storgard Ryan , Rejeski Kai , Perales Miguel-Angel , Goldman Adam , Shouval Roni
Published: April 2024

This cohort study assesses the increase in second primary malignant neoplasms and T-cell malignant neoplasm cases associated with chimeric antigen receptor–T cells.
Leukocoria Due to Persistent Hyperplastic Primary Vitreous
Authors: Liu Shaohua , Hao Linlin , Qin Xuejiao
Published: April 2024

This case report discusses a diagnosis of persistent hyperplastic primary vitreous presenting as leukocoria in a boy aged 50 days.
A Case of Artificial Intelligence Chatbot Hallucination
Authors: Colasacco Christine J. , Born Hayley L.
Published: April 2024

This essay reports on fictitious source materials created by AI chatbots, encourages human oversight to identify fabricated information, and suggests a creative use for these tools.
Phenylsilane
Authors: Yang Junyu , Ali Siraj , Radosevich Alexander T.
Published: April 2024

image

[694‐53‐1]

C
6
H
5
SiH
3

(MW 108.22)

InChI = 
1S/C6H8Si/c7‐6‐4‐2‐1‐3‐5‐6/h1‐5H,7H3

InChiKey = 
PARWUHTVGZSQPD‐UHFFFAOYSA‐N

(reagent used as reductant in catalysis)

Physical Data
: bp 120 °C (750 torr)

1

; density = 0.8775 g mL
−2
.

Solubility
: soluble in most organic solvents; releases flammable gas upon contact with water.

Form Supplied
: clear, colorless oil, commercially available.

Analysis of Reagent Purity
: purity is analyzed by
1
H NMR (500 MHz, CD
2
Cl
2
): δ 4.19 (s, 3
H
), 7.36–7.41 (m, 3
H
), 7.37 (d,
J
 = 7.6 Hz, 2
H
);
13
C{1
H
} NMR (126 MHz, CD
2
Cl
2
): δ 128.7 (s, 2C), 130.4 (s), 136.2 (s), 136.4 (s, 2C), and
29
Si DEPT NMR (99 MHz, CD
2
Cl
2
) δ −59.8.

2

Preparative Method
: reduction of phenyltrichlorosilane or phenyltriethoxysilane with lithium aluminum hydride in ether.

1,3

Purification
: distillation under nitrogen at room temperature and atmospheric pressure.

4

Handling, Storage, and Precautions
: flammable. Stable at room temperature in closed containers. Phenylsilane is capable of releasing hydrogen gas upon storage, particularly in the presence of acids, bases, or fluoride‐releasing salts.

5

Precautions should be taken to vent possible hydrogen buildup when opening vessels in which phenylsilane is stored.
[
N
,
N
′‐bis(2‐pyridylmethyl)]‐2,2′‐bipyrrolidinebis(acetonitrile)iron(II) hexafluoroantimonate (White–Chen catalyst; Fe(
S
,
S
‐PDP) or Fe(
R
,
R
‐PDP))
Authors: Magauer Thomas , Kováč Ondřej
Published: April 2024

image

[
959395‐10‐9
]

C
24
H
32
F
12
FeN
6
Sb
2

(MW 931.90)

InChI = 

1S/C20H26N4.2C2H3N.12FH.Fe.2Sb/c1‐3‐11‐21‐17(7‐1)15‐23‐13‐5‐9‐19(23)20‐10‐6‐14‐24(20)16‐18‐8‐2‐4‐12‐22‐18;2*1‐2‐3;;;;;;;;;;;;;;;/h1‐4,7‐8,11‐12,19‐20H,5‐6,9‐10,13‐16H2;2*1H3;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p‐12/t19‐,20‐;;;;;;;;;;;;;;;;;/m0................./s1

InChiKey = 
XUNWHBGEOCZDBX‐CGOGJHNFSA‐B

[
1361315‐26‐5
]

C
24
H
32
F
12
FeN
6
Sb
2

(MW 931.90)

InChI = 

1S/C20H26N4.2C2H3N.12FH.Fe.2Sb/c1‐3‐11‐21‐17(7‐1)15‐23‐13‐5‐9‐19(23)20‐10‐6‐14‐24(20)16‐18‐8‐2‐4‐12‐22‐18;2*1‐2‐3;;;;;;;;;;;;;;;/h1‐4,7‐8,11‐12,19‐20H,5‐6,9‐10,13‐16H2;2*1H3;12*1H;;;/q;;;;;;;;;;;;;;;+2;2*+5/p‐12/t19‐,20‐;;;;;;;;;;;;;;;;;/m1................./s1

InChiKey = 
XUNWHBGEOCZDBX‐QSKJABRXSA‐B

(catalyst used for oxidative radical reactions, selective oxidation of alkyl carbon–hydrogen bonds, and methylene group oxidation)

Alternative Names
: White–Chen catalyst, [Fe(
S
,
S
‐PDP)(CH
3
CN)
2
](SbF
6
)
2
or [Fe(
R
,
R
‐PDP)(CH
3
CN)
2
](SbF
6
)
2
, Fe(
S
,
S
‐PDP) or Fe(
R
,
R
‐PDP).

Physical Data
: solid (white to purple)
,
m.p. 215–226 °C.

Solubility
: soluble in acetonitrile, dichloromethane,
tert
‐butyl alcohol, hexafluoro‐2‐propanol, or their mixtures.

Form Supplied in
: powder.

Analysis of Reagent Purity
: structure confirmation via X‐ray, purity not specified.

Preparative Methods
: catalyst is prepared from (
S,S
)‐PDP or (
R,R
)‐PDP ligand dissolved in CH
3
CN followed by the addition of Fe(II)Cl
2
·4H
2
O and AgSbF
6
.

1

Purification
: not required.

Handling, Storage, and Precautions
: handle and store under inert gas. Air‐ and moisture‐sensitive. Toxicity not reported. Can cause skin, eye, and respiratory irritation upon exposure.
Aryl Thianthrenium Triflates
Authors: Roberts Riley , Stuart David
Published: April 2024

image

A

[
195072‐48‐1
]

C
19
H
13
F
3
O
3
S
3

(MW 442.48)

InChI = 
1S/C18H13S2.CHF3O3S/c1‐2‐8‐14(9‐3‐1)20‐17‐12‐6‐4‐10‐15(17)19‐16‐11‐5‐7‐13‐18(16)20;2‐1(3,4)8(5,6)7/h1‐13H;(H,5,6,7)/q+1;/p‐1

InChiKey = 
ILICKJZOLUIMMN‐UHFFFAOYSA‐M

B

[
2839478‐51‐0
]

C
20
H
14
ClF
3
O
4
S
3

(MW 506.95)

InChI = 
1S/C19H14ClOS2.CHF3O3S/c1‐21‐15‐11‐10‐13(12‐14(15)20)23‐18‐8‐4‐2‐6‐16(18)22‐17‐7‐3‐5‐9‐19(17)23;2‐1(3,4)8(5,6)7/h2‐12H,1H3;(H,5,6,7)/q+1;/p‐1

InChiKey = 
UHXRBIHFIKXURP‐UHFFFAOYSA‐M

C

[
2786722‐96‐9
]

C
20
H
12
F
6
O
3
S
3

(MW 510.48)

InChI = 
1S/C19H12F3S2.CHF3O3S/c20‐19(21,22)13‐9‐11‐14(12‐10‐13)24‐17‐7‐3‐1‐5‐15(17)23‐16‐6‐2‐4‐8‐18(16)24;2‐1(3,4)8(5,6)7/h1‐12H;(H,5,6,7)/q+1;/p‐1

InChiKey = 
UEAVFAKSNUECER‐UHFFFAOYSA‐M

D

[
2786723‐55‐3
]

C
18
H
12
F
3
NO
3
S
3

(MW 443.47)

InChI = 
1S/C17H12NS2.CHF3O3S/c1‐3‐7‐16‐14(5‐1)19‐15‐6‐2‐4‐8‐17(15)20(16)13‐9‐11‐18‐12‐10‐13;2‐1(3,4)8(5,6)7/h1‐12H;(H,5,6,7)/q+1;/p‐1

InChiKey = 
SRMXRMTYQFMLCQ‐UHFFFAOYSA‐M

(reagents used as an aryl pseudohalide in transition‐metal catalyzed, transition metal‐free, and photochemical reactions)

Physical Data
:

A

mp 202.8–204.7 °C.

1

B

mp 159.2–162.7 °C.

2

C

mp (Not reported).

D

mp (Not reported).

A–D

Solubility
: soluble in acetonitrile and dichloromethane.

A
–
D

Form Supplied in
: not commercially available; free‐flowing solids prepared by literature procedures.

3–5

A
–
D

Analysis of Reagent Purity
:
1
H and
19
F NMR.

A
–
D

Purification
: trituration from dichloromethane using diethyl ether or hexanes; silica gel chromatography (eluting with DCM:MeOH).

A
–
D

Handling, Storage, and Precautions
: stable under ambient conditions for extended periods of time.

3

Can be weighed in normal atmosphere and stored in a vial under air.

Preparative Methods
: (From simple arenes)

A

Treatment of thianthrene
S
‐oxide (TTSO) with trifluoroacetic anhydride (TFAA) and triflic acid (TfOH) in the presence of a desired arene in acetonitrile at 0 °C. After the addition of all reagents, reactions are typically allowed to stir between 1 and 18 h depending on the substrate. Alternatively, treatment of TTSO with triflic anhydride (Tf
2
O) in the presence of a desired arene in dichloromethane or acetonitrile at −40 °C.

3,5

After completion, the purple reaction is quenched with methanol to generate a colorless/yellow solution. The crude reaction mixture is concentrated under reduced pressure and the residue is triturated with diethyl ether to afford a solid which is isolated by filtration.

A–D

(From arylboronic acids) Treatment of the desired arylboronic acid with thianthrene, copper(II) triflate and water in acetonitrile under nitrogen atmosphere at 100 °C for 3 h. After aqueous workup, the crude residue is triturated with diethyl ether to afford a solid which is isolated by filtration.

4
Event‐triggered adaptive tracking control for stochastic nonlinear systems under predetermined finite‐time performance
Authors: Wang Dong‐Mei , Zhu Shan‐Liang , Lu Li‐Ting , Han Yu‐Qun , Wang Wenwu , Zhou Qing‐Hua
Published: April 2024

In this paper, an event‐triggered adaptive tracking control strategy is proposed for strict‐feedback stochastic nonlinear systems with predetermined finite‐time performance. Firstly, a finite‐time performance function (FTPF) is introduced to describe the predetermined tracking performance. With the help of the error transformation technique, the original constrained tracking error is transformed into an equivalent unconstrained variable. Then, the unknown nonlinear functions are approximated by using the multi‐dimensional Taylor networks (MTNs) in the backstepping design process. Meanwhile, an event‐triggered mechanism with a relative threshold is introduced to reduce the communication burden between actuators and controllers. Furthermore, the proposed control strategy can ensure that all signals of the closed‐loop system are bounded in probability and the tracking error is within a predefined range in a finite time. In the end, the effectiveness of the proposed control strategy is verified by two simulation examples.
Functionalized Double‐Gradient Janus Filters for Full‐Scale Capture and Inactivation of Multiscale Aqueous Bioaerosols
Authors: Zhou Zhiqiang , Wang Di , You Tianle , Pan Zhengyuan , Xu Guilong , Liang Yun , Tang Min
Published: April 2024

Exposure to bioaerosols can result in severe infection and even death, prompting the development of numerous air filters to capture and inactivate bioaerosols. Although the wettability of filter media determines its bioaerosol‐capture efficiency, the dynamic collision behavior of multiscale aqueous bioaerosols on most filter media is poorly understood. A double‐gradient Janus paper (Janus paper) with a pore‐size gradient, asymmetric wettability, and biocidal and bioadhesion properties is fabricated in this study using an industrially available papermaking process. The dynamic collision behavior at the micrometer and millimeter scales indicates that the Janus paper enables the full‐scale blocking and/or capture of aqueous aerosols by a two‐step mechanism where the water‐repellent top layer blocks large‐size aqueous aerosols, while the hydrophilic bottom layer permits the adherence of small‐size aerosols to its fibers. The Janus paper exhibits a higher capture and inactivation capacity (inactivation efficiency: 98.3%), better dust‐holding capacity (> 21 g m−2), and a longer lifetime than commercial filter media. Commercial air purifiers comprising the Janus paper exhibit high potential for large‐scale commercial applications owing to the facile, low‐cost, and scalable fabrication method. This study enables future research on efficient and practicable Janus‐paper filter media.
A 700 nm LED Light Activated Ru(II) Complex Destroys Tumor Cytoskeleton via Photosensitization and Photocatalysis
Authors: Dao Anyi , Chen Shiyan , Pan Li , Ren Qingyan , Wang Xun , Wu Haorui , Gong Qiufang , Chen Zeduan , Ji Shaomin , Ru Jiaxi , Zhu HaoTu , Liang Chao , Zhang Pingyu , Xia Haiping , Huang Huaiyi
Published: April 2024

Photoactivable chemotherapy (PACT) using metallic complexes provides spatiotemporal selectivity over drug activation for targeted anticancer therapy. However, the poor absorption in near‐infrared (NIR) light region of most metallic complexes renders tissue penetration challenging. Herein, an NIR light triggered dinuclear photoactivable Ru(II) complex (Ru2) is presented and the antitumor mechanism is comprehensively investigated. The introduction of a donor–acceptor–donor (D–A–D) linker greatly enhances the intramolecular charge transition, resulting in a high molar extinction coefficient in the NIR region with an extended triplet excited state lifetime. Most importantly, when activated by 700 nm NIR light, Ru2 exhibits unique slow photodissociation kinetics that facilitates synergistic photosensitization and photocatalytic activity to destroy diverse intracellular biomolecules. In vitro and in vivo experiments show that when activated by 700 nm NIR light, Ru2 exhibits nanomolar photocytotoxicity toward 4T1 cancer cells via the induction of calcium overload and endoplasmic reticulum (ER) stress. These findings provide a robust foundation for the development of NIR‐activated Ru(II) PACT complexes for phototherapeutic application.
Entangled Mesh Hydrogels with Macroporous Topologies via Cryogelation for Rapid Atmospheric Water Harvesting
Authors: Sun Jiajun , Ni Feng , Gu Jincui , Si Muqing , Liu Depeng , Zhang Chang , Shui Xiaoxue , Xiao Peng , Chen Tao
Published: April 2024

Sorption‐based atmospheric water harvesting (SAWH) is a promising technology to alleviate freshwater scarcity. Recently, hygroscopic salt‐hydrogel composites (HSHCs) have emerged as attractive candidates with their high water uptake, versatile designability, and scale‐up fabrication. However, achieving high‐performance SAWH applications for HSHCs has been challenging because of their sluggish kinetics, attributed to their limited mass transport properties. Herein, a universal network engineering of hydrogels using a cryogelation method is presented, significantly improving the SAWH kinetics of HSHCs. As a result of the entangled mesh confinements formed during cryogelation, a stable macroporous topology is attained and maintained within the obtained entangled‐mesh hydrogels (EMHs), leading to significantly enhanced mass transport properties compared to conventional dense hydrogels (CDHs). With it, corresponding hygroscopic EMHs (HEMHs) simultaneously exhibit faster moisture sorption and solar‐driven water desorption. Consequently, a rapid‐cycling HEMHs‐based harvester delivers a practical freshwater production of 2.85 Lwater kgsorbents−1 day−1 via continuous eight sorption/desorption cycles, outperforming other state‐of‐the‐art hydrogel‐based sorbents. Significantly, the generalizability of this strategy is validated by extending it to other hydrogels used in HSHCs. Overall, this work offers a new approach to efficiently address long‐standing challenges of sluggish kinetics in current HSHCs, promoting them toward the next‐generation SAWH applications.
A Bioinspired Dopamine‐Amorphous Calcium Phosphate Coating on Titanium Implant for Osteogenesis and Angiogenesis
Authors: Wu Wenjing , Feng Yanhuizhi , Ni Bing
Published: April 2024

Titanium (Ti) is widely used in dental implantation. However, their lack of biological activity causes significant clinical risks associated with immediate loading and early osteointegration failure. Amorphous calcium phosphate (ACP) is reported to be a precursor of bone mineralization. Dopamine (dopa) is well known to possess strong adhesive force in natural mussels. Combining the bio‐related advantages of these materials, a dopa‐polyacrylic acid (PAA)‐ACP hybrid material on the surface of the Ti plate is judiciously fabricated. The biological adhesiveness of dopa to graft it together with PAA onto the surface of Ti is utilized. Then, the dopa‐PAA layer serves as a matrix to grow ACP species. The modified interface allows for regulations of bioactivities. MC3T3‐E1 osteoblast (MC3T3) cells indeed show improved cell proliferation and adhesion abilities on the Ti with dopa‐PAA‐ACP coatings compared to those on bare Ti or Ti with only dopa‐PAA coating. The osteogenic potential of MC3T3 cells is also considerably upregulated on dopa‐PAA‐ACP coatings. Moreover, human umbilical vein endothelial cells (HUVECs) on dopa‐PAA‐ACP coatings show higher levels of angiogenic markers. This report proves that dopa‐PAA‐ACP composite is a new and simple bioactive titanium coating to facilitate osteogenesis and angiogenesis for dental applications.
Wearable Multi‐Plied Potentiometric Sensor based on Carbon Nanotube Yarn for Electronic Tongue
Authors: Gwac Hocheol , Jang Yongwoo , Moon Ji Hwan , Kim Seon Jeong
Published: April 2024

Wearable ion‐selective potentiometric sensors have received considerable interest in enabling taste sensing in robots and for monitoring abnormal conditions, such as poor water quality, spoiled food (freshness), and microbial contamination. Despite advances in wearable ion‐selective sensors, the production of a stretchable and miniaturized ion‐selective sensor to detect various ions remains a challenge for practical applications. Herein, a stretchable multi‐ply potentiometric sensor is reported based on ion‐selective coiled yarn (ISCY) with Carbon nanotube. Three types of ISCYs show high sensitivity and selectivity toward a specific target ion, such as K+, Na+, and H+. The sensitivity and selectivity are maintained even at 27% strain and under mechanical deformation, such as being bent by 180° or tied into a knot. Furthermore, an attempt is made to miniaturize the sensor into a single fiber by plying three types of ISCYs and a reference electrode together. This multi‐ion potentiometric sensor is successfully woven into fabrics, such as clothes or gloves, and exhibits a functional sensing performance in various water‐based solutions (sea, river, tap, and distilled waters) and fruit juices as practical applications. These results suggest that this potentiometric sensor has a high potential application as a taste sensor and a monitoring sensor in an electronic tongue.
DIMOND: DIffusion Model OptimizatioN with Deep Learning
Authors: Li Zihan , Li Ziyu , Bilgic Berkin , Lee Hong‐Hsi , Ying Kui , Huang Susie Y. , Liao Hongen , Tian Qiyuan
Published: April 2024

Diffusion magnetic resonance imaging is an important tool for mapping tissue microstructure and structural connectivity non‐invasively in the in vivo human brain. Numerous diffusion signal models are proposed to quantify microstructural properties. Nonetheless, accurate estimation of model parameters is computationally expensive and impeded by image noise. Supervised deep learning‐based estimation approaches exhibit efficiency and superior performance but require additional training data and may be not generalizable. A new DIffusion Model OptimizatioN framework using physics‐informed and self‐supervised Deep learning entitled “DIMOND” is proposed to address this problem. DIMOND employs a neural network to map input image data to model parameters and optimizes the network by minimizing the difference between the input acquired data and synthetic data generated via the diffusion model parametrized by network outputs. DIMOND produces accurate diffusion tensor imaging results and is generalizable across subjects and datasets. Moreover, DIMOND outperforms conventional methods for fitting sophisticated microstructural models including the kurtosis and NODDI model. Importantly, DIMOND reduces NODDI model fitting time from hours to minutes, or seconds by leveraging transfer learning. In summary, the self‐supervised manner, high efficacy, and efficiency of DIMOND increase the practical feasibility and adoption of microstructure and connectivity mapping in clinical and neuroscientific applications.
Realization of Self‐Powered High‐Performance Photodetection via Electrostatic Field Enhancement and Dark Current Suppression
Authors: Chen Zhengbang , Lin Shuixiu , Liu Xinshi , Lin Xianqi , Wan Lingyu
Published: April 2024

Self‐powered photodetectors (PDs) are particularly attractive in the construction of environmentally friendly and sustainable Internet of Things. Utilizing dual functions of PTFE of electrostatic field enhancement and dark current suppression, a high‐performance self‐powered ITO/PTFE/TiO2/GaN UV PD is developed herein. The introduction of PTFE not only significantly reduces the dark current, but also facilitates the separation of photogenerated carriers by coupling the internal electrostatic field at the PTFE/TiO2 interface with the built‐in electric field of the TiO2/GaN heterojunction. With 0 V bias, the light‐to‐dark current (Ilight/Idark) ratio of the PD with PTFE is improved by 2297 times and the response time is faster by 1.69/2.96 times compared to the ITO/TiO2/GaN PD. In addition, a microstructured M‐ITO/PTFE/TiO2/GaN PD with micrometer‐sized cylindrical TiO2 arrays exhibits a high Ilight/Idark ratio of 3.65 × 105, a responsivity of 280.1 mA W−1, a high detectivity of 1.97 × 1013 Jones, and a response time of 4.3/3.0 ms under 360 nm illumination. Our strategy provides a promising way to develop high‐performance self‐powered PD.
Biphenylene and 1‐Azabiphenylene as a Platform for Synthesis of Azapolyaromatic Compounds
Authors: Polák Peter , Cadart Timothée , Nečas David , Kotora Martin
Published: April 2024

Attempts to carry out intramolecular annulation of 9,10‐diarylbenzo[h]quinolines and 9,10‐di(hetero)arylphenanthrenes to aromatics with expanded π‐conjugated systems by using different methods are described. The starting compounds (9,10‐diarylbenzo[h]quinolines and 9,10‐di(hetero)arylphenanthrenes) were prepared by C−C bond activation in 1‐azabiphenylene or biphenylene followed by insertion of internal alkynes. Interestingly, unlike in purely carbon‐based aromatics, the course of the annulation turned out to be highly dependent on the structure of maternal compounds. In a handful of cases were obtained the expected or desired products. In others, unexpected rearrangements of the basic molecular frameworks were observed.
Antimatter Gravity and the Results of the ALPHA‐g Experiment
Authors: Villata Massimo
Published: April 2024

By combining general relativity and CPT symmetry, the theory of CPT gravity predicts gravitational repulsion between matter and CPT‐transformed matter, i.e., antimatter inhabiting an inverted space‐time. Such repulsive gravity turned out to be an excellent candidate for explaining the accelerated expansion of the Universe, without the need for dark energy. The recent results of the ALPHA‐g experiment, which show gravitational attraction between antihydrogen atoms and the Earth, seem to undermine this success in the cosmological field. Analyzing the above theory, two solutions are found that can be consistent with the experimental results, while preserving the large‐scale gravitational repulsion. The first highlights how repulsive gravity can be the result of the interaction with an inverted space‐time, but occupied by matter and not antimatter, and therefore the antimatter present in our space‐time has no reason to exhibit gravitational repulsion. The second retains the original CPT transformation, resulting in repulsive gravity between matter and antimatter, but with the caveat that antimatter immersed in our space‐time cannot exhibit the PT transformation which is the cause of the repulsion. Finally, it is shown that, in a Newtonian approximation of the geodesic equation, time reversal is not a necessary operation for repulsive gravity, therefore opening the possibility of an expanding cosmos with a single time direction.
Application of hydrophobic selective stimuli‐responsive polymer membranes in organic pollutant treatment in aqueous phase
Authors: Gan Zhenjie , Ma Shuxiu , Zhang Yinlong , Wang Yuzhou , Liu Wenbo , Cao Jiliang , Li Na
Published: April 2024

Both hydrophobic and hydrophilic pollutions have damage on our environment, and it is necessary to remove them. However, the treatments for different water pollutions can be specific due to the hydrophobicity of various molecules. Therefore, it is important to separate pollutants with different hydrophobicity. In this work, we developed a diffusion separation method based on hydrophobicity selectivity polymer membranes, whose selectivity between hydrophilic and hydrophobic pollutants can be up to more than 100. By doping pH‐responsive monomer into hydrophobic polymer membrane, the permeability of membrane can be tuned by surrounding pH, and the selectivity is not decreasing. With the results of characteristics on contact angle, scanning electron microscope, and mechanical properties, we prove the stimuli‐responsive polymer membrane at different states have similar properties with the nonresponsive amorphous polymer membranes with high separation selectivity.
Computational basis of TEAD‐3 protein noncovalent inhibition: 3D‐QSAR modeling and molecular dynamics simulation
Authors: Kaviani Bita , Dehkordi Marzieh Ghani , Haghshenas Hamed
Published: April 2024

The tumor‐suppressing phosphorylation cascade is primarily regulated by transcriptional enhanced associate domain (TEAD) transcription factors, and the overexpression of these factors is associated with tumorigenesis and cancer progression. The central pocket of TEAD protein can be targeted by noncovalent inhibitors, and therefore, investigating the interaction patterns for TEAD and its available inhibitors seems essential. In this regard, molecular dynamics simulations were conducted to identify the most potent TEAD3 noncovalent inhibitors and to study TEAD3–inhibitor interaction patterns. We developed a 3D‐quantitative structure–activity relationship model to investigate the structure–activity correlation for the available TEAD3 inhibitors. Our results indicated the role of Tyr230, Val317, Thr333, Met367, Cys368, Met371, Phe394, Ile396, Gln398, and Phe416 residues in TEAD3–inhibitor interactions. Dihydropyrazolo pyrimidines and compound 2 were identified as the most potent TEAD3 noncovalent inhibitors. The Comparative Molecular Field Analysis model analysis identified the hydrophobic‐favored regions around the pyrazolo[1,5‐a]pyrimidin‐7(4H)‐one ring and the unfavored steric regions around cyclohexane and phenyl groups of dihydropyrazolo pyrimidines.
Product type and anticipated regret: The key to unlocking consumer upgrade intention
Authors: Zhang Xuan , Chen Hanyu , Ma Jianuo
Published: April 2024

As products are constantly updated, brands launch increasingly different versions thereof, and consumers frequently face upgrade choices. However, when and why consumers choose to upgrade has received limited attention. This article thus sheds new light on consumer upgrade intention by distinguishing a novel antecedent, product type (material vs. experiential). Three online studies with 642 participants from the US were conducted; we used t‐tests and bootstrapped mediation analysis via PROCESS Model 4 to analyze the data. The results of these studies reveal that consumers are more likely to upgrade experiential products than material products. Moreover, this effect is mediated by a heightened sense of anticipated regret rather than upgrade degree or perceived product closeness. Specifically, consumers feel greater anticipated regret if they do not upgrade experiential products (vs. material products), which leads to their higher upgrade intentions toward experiential products. This research therefore significantly extends regret regulation theory, provides important insights into the relationship between product type and upgrade intention, and offers valuable knowledge for brands seeking to optimize their marketing strategies.
Synthesis, Characterization, Molecular Docking, and Investigation of Antibacterial Properties of New Derivatives of 1‐H‐Phenanthro [9,10‐d] Imidazole
Authors: Mahmoodi Nosrat O. , Rajabi Anahita , Nyaki Hadiseh Yazdani , Nahzomi Hossein Taherpour
Published: April 2024

In this study, several imidazole derivatives in one pot multicomponent reaction from various aldehydes 1(a–z), 9,10‐phenanthrenequinone, or benzyl (2), and ammonium acetate (3) were synthesized in the presence of acetic acid (AcOH) under reflux conditions at 120 °C. Also, the photochromic properties of synthesized compounds were investigated in AcOH as a solvent under laboratory conditions at a temperature of 120 °C. Moreover, the antibacterial activity of the synthesized compounds was investigated. The structure of the products was confirmed using FT‐IR, UV‐Vis, 1H‐NMR, and 13CNMR spectroscopy. The antimicrobial activity of these compounds against gram‐positive bacteria including Bacillus subtilis (B. subtilis) and gram‐negative bacteria including Escherichia coli (E.coli) bacteria was evaluated by the Well diffusion (WD) method, and the compounds 4 o showed significant results for both antibacterial activity. To gain insight into how these compounds interact with two types of targets, i. e., human topoisomerase II alpha (5GWK) and acetylcholinesterase (7AIX), binding calculations have been used that provide significant results for both targets and show that most ligands can effectively bind to cleft nucleotides. Interfere in the first one or be well placed in them. Hydrophobic pocket in the dimension, which can ultimately lead to high scores achieved.
Synergistic Inhibitions of Gram‐Negative Bacteria by Combination Treatment with Ciprofloxacin and a Novel Glucolipid
Authors: Yang Liyuan , Zhang Qingqing , Yu Deng , Zhu Weiming , Wang Yi
Published: April 2024

Psychrophilic fungus Pseudogymnoascus sp. OUCMDZ‐4032 derived from Antarctica was cultivated under 16 °C to produce a new glucolipid compound (1). Its structure was elucidated by analysis of detailed spectroscopic data, acid hydrolysis and 1‐phenyl‐3‐methyl‐5‐pyrazolone precolumn derivatization, and 13C NMR quantum chemical calculations. Though compound 1 did not show inhibitory activity against bacteria, it can reduce the minimum inhibitory concentration (MIC) of ciprofloxacin against Gram‐negative bacteria Pseudomonas aeruginosa, Escherichia coli, and Salmonella paratyphi by 1024, 256 and 256‐fold. Compound 1 showed potential as a synergistically inhibiting adjuvant in co‐administration with antibiotic to enhance antibacterial activities.
Recent Advances in Carbon Nitride Supported Single‐Atom Catalysts: Synthesis, Characterization, and Applications for CO2 Photoreduction
Authors: Hu Shan , Lei Yiming , Zhang Xueli , Zhang Fangyuan , Qiao Panzhe , Ye Jinhua , Wang Defa
Published: April 2024

Photoreduction of CO2 into value‐added chemicals and fuels is a promising green technology for solar‐to‐chemical conversion. Owing to the atomic utilization, unique metal‐support interaction, and unsaturated coordination active sites, single‐atom catalysts (SACs) have been attracting great attention in achieving high activity and selectivity of CO2 photoreduction reactions. On the other hand, carbon nitride (C3N4) with abundant periodically unsaturated coordination of nitrogen atoms can serve as an excellent support for anchoring metal single atoms. In this context, extensive research efforts have been paid in C3N4‐based SACs for CO2 photoreduction in recent years. In this review, we report the recent advances in C3N4 supported SACs for CO2 photoreduction. We start from the introduction of synthetic strategies of various C3N4 supported metal SACs. Secondly, the main advanced characterization techniques and calculation methods for identifying the single‐atoms and their coordination environments of C3N4‐based SACs are summarized. Thirdly, some state‐of‐the‐art works on the rational design of C3N4‐based SACs and their applications in CO2 photoreduction are introduced. Lastly, we briefly summarize the main challenges and propose important perspectives of C3N4‐based SACs in CO2 photoreduction. This review is expected to provide some useful guidelines for the development of efficient and stable C3N4‐based SACs for CO2 photoreduction.
Redox‐Active Triazole‐Derived Mesoionic Imines with Ferrocenyl Substituents and their Metal Complexes: Directed Hydrogen‐Bonding, Unusual C−H Activation and Ion‐Pair Formation
Authors: Rudolf Richard , Batman Derman , Mehner Niklas , Walter Robert R. M. , Sarkar Biprajit
Published: April 2024

We present herein the synthesis, characterization and complexation of ferrocenyl‐substituted MIIs (mesoionic imines) and their metal complexes. In the free MIIs, strong hydrogen bonding interactions are observed between the imine‐N and the C−H bonds of the ferrocenyl substituents both in the solid state and in solution. The influence of this hydrogen bonding is so strong that complexation of the MIIs with [IrCp*Cl2]2 yields unique six‐membered iridacycles via C−H‐activation of the corresponding C−H‐site at the Fc‐substituent and not the Ph‐substituent. This result is in contrast to previous reports in which always a preferential C−H activation at the phenyl substituent is observed in competitive reactions in the presence of ferrocenyl substituents. The corresponding Ir complexes formed after in‐situ halide exchange reaction exist in either [Ir−I] contact or as [Ir]+I− solvent separated ion‐pairs depending on the solvent polarity. The iodide coordinated and solvent separated ion‐pairs display drastically different physical properties. The TEP (Tolman‐electronic‐parameter) of these ligands was determined and lines up with previously reported MII‐ligands. The redox properties were investigated by a combination of electrochemical and spectroelectrochemical methods. We show here how non‐covalent interactions can have a drastic influence on the physical and chemical properties of these new class of compounds.
An integrated tube robust iterative learning model predictive control strategy based on dynamic partial least squares algorithm for batch processes
Authors: Zhou Liuming , Zheng Chuangkai , Li Feng
Published: April 2024

In this paper, an integrated tube robust iterative learning model predictive control (Tube‐RILMPC) strategy based on the dynamic partial least squares (DyPLS) identified algorithm is proposed. The problems of large amount of online data calculation and input and output variable dimensions disaster in the original variable space are solved. This integrated Tube‐RILMPC strategy enhances the tracking performance and robustness of two‐dimensional (2D) control system. The output trajectories of system are located in the tube the nominal trajectory, which reduces the modelling error caused by the uncertain model. Based on the worst‐case performance index of ellipsoidal uncertainty and polytopic uncertainty, a robust iterative learning control (ILC) strategy is designed. Finally, the superiority of the proposed control algorithm is verified by comparative simulation.
An odd dancing couple. Non‐small cell lung carcinoma with coexisting EGFR mutation and NTRK‐1 translocation: A case report
Authors: Robledano Ramon , Lozano Maria D.
Published: April 2024

In the 21st century, there has been a dramatic shift in the diagnosis and management of non‐small cell lung carcinoma (NSCLC), with an increasing use of minimally invasive tissue acquisition methods. Current treatments require morphologic subtyping and biomarker information in all cases. Determining such biomarkers is a continuously evolving field; current guidelines state that the determination of mutations on the Epidermal Growth Factor (EFGR), Kirsten Rat Sarcoma viral oncogene homolog (KRAS), Proto‐oncogene B‐Raf (BRAF), Human epidermal growth factor receptor 2 (HER2) and Anaplastic Lymphoma Kinase (ALK), genes as well as fusions on genes such as ROS Proto‐Oncogene 1, Receptor Tyrosine Kinase (ROS1), MET proto‐oncogene, receptor tyrosine kinase (MET), RET proto‐oncogene (RET), and the Neurotrophic Tyrosine Receptor Kinase (NTRK) family is mandatory. While analyzing such alterations, some of them were first reported to be mutually exclusive, although in recent years, it has been shown otherwise in some of these cases. Moreover, so was the case with the concomitant expression of NTRK fusions and EGFR mutations. We present a case report of a patient with concomitant EGFR mutation and NTRK1 fusion.
Development of a method to evaluate the effects of external environments on drug stability in nails using micro‐segmental analysis
Authors: Kuwayama Kenji , Miyaguchi Hajime , Kanamori Tatsuyuki , Tsujikawa Kenji , Yamamuro Tadashi , Segawa Hiroki , Okada Yuki , Iwata Yuko T.
Published: April 2024

Nails can be used as an alternative to hair for examining past drug use. However, daily hand‐and‐nail care can eliminate the internal drugs. Therefore, we developed an evaluation method to examine the effects of the external environment on drug stability in nails using micro‐segmental analysis. First, reference nails containing drugs were prepared by collecting fingernails from participants who had consumed hay‐fever medicines continuously for 4 months. Next, the entire free edge of a reference nail was cut into halves at the centerline; one side was stored as an untreated block, and the other was treated with various hand/nail care products. Both nail blocks were washed and segmented at 0.5‐mm intervals in the width direction. Each segment in the extraction solution was crushed with stainless‐steel beads, sonicated, and soaked in the solution for 24 h. The analytes in extracts were quantified by LC–MS/MS, and the drug concentrations between the treated and untreated blocks were compared. The drug concentrations decreased slightly in nails treated with manicure and gel‐nail products. The analytes in nails tended to be lower in water‐rich products such as hand soap and hand cream than in oil‐rich products such as nailcare oil and acetone‐free remover. The developed method using micro‐segmental analysis enabled the evaluation of the effects of various hand/nail care products on drug stability in a limited number of nails. This would also be useful for examining the effects of severe environments on drugs in nails collected from cases of unnatural death.
In Situ Hydrogen Bonding‐Mediated Self‐Synthesis of Graphene‐Coated SnO2 as Anode Materials for Lithium‐Ion Batteries
Authors: Li Hui , Zhuang Yi , Qi Haoyu , Zheng Chuanbo , Wang Zhiteng , Yao Huan , Liu Zhiqiang , Li Yingying , He Jiaqi , Zou Wenkai , Zhu Jin , Yin Shiyi
Published: April 2024

Tin(IV) oxide (SnO2) has been recognized as the next frontier in innovative anode materials, set to revolutionize lithium‐ion batteries. Anticipated to replace graphite anodes, SnO2 boasts an ideal capacity of 782 mAh g−1 and an appropriate operating potential conducive to advanced battery technology. Nonetheless, the challenges posed by volume expansion and intricate synthesis route of Sn‐based anode materials have impeded their commercial viability. Herein, SnO2@graphene nanoparticles are synthesized through hydrogen bonding‐mediated self‐assembly process, utilizing polyethylene glycol (PEG) and tin tetrachloride as starting materials. The resultant nanoparticles exhibit uniform distribution, forming a sandwich structure with graphene. Sample SP‐0.3, obtained by incorporating 6 g of PEG, demonstrates remarkable capacity for reversible energy storage. It retains a capacity of 703.1 mAh g−1 even after 900 cycles at a current density of 0.5 A g−1. Coupled with the straightforward, convenient, and expeditious preparation method, the proposed technique positions the composite material as an invaluable candidate for commercialization.
Parameter Extraction of Single, Double, and Triple‐Diode Photovoltaic Models Using the Weighted Leader Search Algorithm
Authors: Çetinbaş İpek
Published: April 2024

This study presents the parameter extraction of single, double, and triple‐diode photovoltaic (PV) models using the weighted leader search algorithm (WLS). The primary objective is to develop models that accurately reflect the characteristics of PV devices so that technical and economic benefits are maximized under all constraints. For this purpose, 24 models, 6 for two different PV cells, and 18 for six PV modules, whose experimental data are publicly available, are developed successfully. The second objective of this research is the selection of the most suitable algorithm for this problem. It is a significant challenge since the evaluation process requires using advanced statistical tools and techniques to determine the reliable selection. Therefore, seven brand‐new algorithms, including WLS, the spider wasp optimizer, the shrimp and goby association search, the reversible elementary cellular automata, the fennec fox optimization, the Kepler optimization, and the rime optimization algorithms, are tested. The WLS has yielded the smallest minimum, average, RMSE, and standard deviation among those. Its superiority is also verified by Friedman and Wilcoxon signed‐rank test based on 144 pairwise comparisons. In conclusion, it is demonstrated that the WLS is a superior algorithm in PV parameter extraction for developing accurate models.
Covert allyship: Implementing LGBT policies in an adversarial context
Authors: Röell Christiaan , Özbilgin Mustafa , Arndt Felix
Published: April 2024

This study introduces the concept of covert allyship as a strategy for tacitly supporting lesbian, gay, bisexual, and transgender (LGBT) inclusion in adversarial contexts. Drawing on a qualitative case study of 12 Western multinational enterprises (MNEs) operating in Indonesia, the largest Muslim country in the world, the article sheds light on how allyship for LGBT issues is undertaken covertly as allies seek to transcend tensions arising between headquarters publicly advocating for LGBT rights and their subsidiaries. The findings evaluate both barriers to MNE subsidiaries implementing LGBT‐supportive policies and facilitating mechanisms for covert forms of institutional allyship. Finally, the article provides recommendations for how MNEs can adopt practices that build subtle yet effective LGBT‐supportive approaches in contexts that require sensitivity to local cultures and legislation.
Effectiveness of a grid mattress on adults' sleep quality and health: A quasi‐experimental intervention study
Authors: Breus Michael , Hooper Stephanie L. , Lynch Tarah , Barragan Martin , Hausenblas Heather A.
Published: April 2024

Background and aims

Despite that 93% of people indicate that a mattress plays a pivotal role in achieving high‐quality sleep, there is a scarcity of research investigating the influence of mattresses on sleep quality, pain, and mood in nonclinical poor sleepers. The purpose was to examine the effectiveness of a pressure‐releasing medium‐firm grid mattress on sleep and health outcomes (e.g., mood, pain, daytime fatigue) of adults with nonclinical insomnia symptoms using a quasi‐experimental design.

Methods

Participants were 39 adults (mean age = 45.29) with nonclinical insomnia (i.e., occasional sleeplessness). Following 1 week of baseline assessments on their current mattress, they slept on a pressure‐relieving grid mattress for 8 weeks. Participants completed self‐report assessments of the Pittsburgh Sleep Quality Index, Berlin Questionnaire, Insomnia Severity Index, Restorative Sleep Questionnaire, Perceived Stress Scale, Profile of Mood States, Daytime Fatigue Scale, Pain and Sleep Questionnaire, and Brief Pain Inventory at Baseline and Weeks 1, 2, 3, 4, and 8. Participants continually wore an Oura Ring to objectively assess sleep and daytime activity. The data were collected from January 2022 to April 2022 and were stored electronically. Repeated‐measures analyses of variance were used to analyze mean time differences.

Results

Self‐reported sleep quality, perceived pain, perceived stress, mood, and daytime fatigue improved significantly from Baseline to Week 8, p's < 0.05. Objective Oura Ring validated the self‐reported sleep and daytime activity outcomes with improvements in sleep duration, time awake during the night, light sleep, deep sleep, and total sleep time, p's < 0.05. No significant time effects were evidenced for rapid eye movement sleep. No adverse events were reported.

Conclusion

The grid mattress is a simple, noninvasive, and nonpharmacological intervention that improved adults sleep quality and health. Controlled trials are encouraged to examine the effects of this mattress in a variety of populations and environments.
Beyond traditional venous access: Midline catheter use in pediatric apheresis
Authors: Geile Kira , Barton Kevin , Dandamudi Raja
Published: April 2024

The objective of this study was to assess the use of midline catheters as venous access for apheresis procedures in pediatric patients. A retrospective analysis of medical records was conducted from September 2019 to June 2022 to evaluate the safety and efficacy of midline catheters for therapeutic pediatric apheresis. During the study period, a total of 121 procedures were inserted in 22 unique patients. The age of the subjects ranged from 2.7 to 21 years. The blood flow rates achieved with midline catheters met or exceeded the recommended rates for apheresis in children (40 mL/min), by the Wilcoxon signed‐rank test (p < 0.0001). There was one episode of catheter‐related thrombosis, but no cases of bloodstream infection or catheter dislodgement were reported. In conclusion, this study supports the use of midline catheters as a safe and effective alternative for venous access during therapeutic and donor apheresis procedures in pediatric patients.
Population Pharmacokinetic Modeling and Exposure–Efficacy and Body Weight–Response Analyses for Tezepelumab in Patients With Severe, Uncontrolled Asthma
Authors: Zheng Yanan , Abuqayyas Lubna , Quartino Angelica , Guan Ye , Gao Yuying , Liu Lu , Hellqvist Åsa , Colice Gene , MacDonald Alexander
Published: April 2024

Tezepelumab is a human monoclonal antibody that blocks the activity of thymic stromal lymphopoietin. This analysis assessed the suitability of a fixed‐dose regimen of tezepelumab 210 mg every 4 weeks (Q4W) in adults and adolescents with severe, uncontrolled asthma. A population pharmacokinetic model was developed using data from 1368 patients with asthma or healthy participants enrolled in 8 clinical studies (phases 1‐3). Tezepelumab exposure‐efficacy relationships were analyzed in the phase 3 NAVIGATOR study (NCT03347279), using asthma exacerbation rates over 52 weeks and changes in pre‐bronchodilator forced expiratory volume in 1 s at week 52. Tezepelumab pharmacokinetics were well characterized by a 2‐compartment linear disposition model with first‐order absorption and elimination following subcutaneous and intravenous administration at 2.1‐420 and 210‐700 mg, respectively. There were no clinically relevant effects on tezepelumab pharmacokinetics from age (≥12 years), sex, race/ethnicity, renal or hepatic function, disease severity (inhaled corticosteroid dose level), concomitant asthma medication use, smoking history, or anti‐drug antibodies. Body weight was the most influential covariate on tezepelumab exposure, but no meaningful differences in efficacy or safety were observed across body weight quartiles in patients with asthma who received tezepelumab 210 mg subcutaneously Q4W. There was no apparent relationship between tezepelumab exposure and efficacy at this dose regimen, suggesting that it is on the plateau of the exposure‐response curve of tezepelumab. In conclusion, a fixed‐dose regimen of tezepelumab 210 mg subcutaneously Q4W is appropriate for eligible adults and adolescents with severe, uncontrolled asthma.
Lean body mass and the cardiorespiratory phenotype: An ethnic‐specific relationship in Hans Chinese women and men
Authors: Guo Meihan , Diaz‐Canestro Candela , Pugliese Nicola Riccardo , Paneni Francesco , Montero David
Published: April 2024

Background

Lean body mass (LBM) and the functional capacity of cardiovascular (CV) and respiratory systems constitute a female‐specific relationship in European–American individuals. Whether this recent finding be extrapolated to the world's largest ethnic group, that is, Hans Chinese (HC, a population characterized by low LBM), is unknown.

Methods

Healthy HC adults (n = 144, 50% ♀) closely matched by sex, age and physical activity were included. Total and regional (leg, arm and trunk) LBM and body composition were measured via dual‐energy X‐ray absorptiometry. Cardiac structure, stiffness, central/peripheral haemodynamics and peak O2 consumption (VO2peak) were assessed via transthoracic echocardiography and pulmonary gas analyses at rest and during exercise up to peak effort. Regression analyses determined the sex‐specific relationship of LBM with cardiac and aerobic phenotypes.

Results

Total and regional LBM were lower and body fat percentage higher in women compared with men (P < 0.001). In both sexes, total LBM positively associated with left ventricular (LV) mass and peak volumes (r ≥ 0.33, P ≤ 0.005) and negatively with LV end‐systolic and central arterial stiffness (r ≥ −0.34, P ≤ 0.004). Total LBM strongly associated with VO2peak (r ≥ 0.60, P < 0.001) and peak cardiac output (r ≥ 0.40, P < 0.001) in women and men. Among regional LBM, leg LBM prominently associated with the arterio‐venous O2 difference at peak exercise in both sexes (r ≥ 0.43, P < 0.001). Adjustment by adiposity or CV risk factors did not modify the results.

Conclusions

LBM independently determines internal cardiac dimensions, ventricular mass, distensibility and the capacity to deliver and consume O2 in HC adults irrespective of sex.