bluuebunny/crossref_metadata_2025 huggingface dataset:
In-vitro Antimicrobial Activity of the Combined Effect of Kalanchoe crenata and Vernonia amygdalina on Salmonella Species
Authors: Effah-Yeboah Emmanuel , Agyapong Asare Emmanuel , Balali Gadafi Iddrisu , Aboagye Vincent , Sarpong Kofi , Taufiq Mohammed , Bawah Abdul-Malik
Published: December 2021

Introduction: The breakthrough in the treatment of pathogenic diseases was the unearthing of naturally occurring antipathogenic agents or antibiotics. There have been upsurges in antibiotic-resistant strains of clinically important pathogens, which made way to the emergence of new-fangled bacterial strains that are multi-resistant. The major aim of scientists is to develop new antibiotics or other therapeutic strategies at a pace greater than that at which bacteria are developing resistance. The development of resistance to first-line antimicrobial therapies made way to recommendations for combination therapies for the treatment of some infections and some of this form of chemotherapy seems to be very successful.

Objectives: This research was carried out to determine the effect of Kalanchoe crenata extracts on Salmonella typhi load. Also, to assess the potency of the extract of Vernonia amygdalina on Salmonella typhi and finally to ascertain the effect of the combined extract of Kalanchoe crenata and Vernonia amygdalina on Salmonella typhi.

Methods: In this research, Salmonella typhi was exposed to a crude extract of Kalanchoe crenata and Vernonia amygdalina and also the combination of the two extracts. Agar wells diffusion method was employed.

Results: The combined effect was not sensitive to the Salmonella strain. The Salmonella strain was resistant to V. amygdalina than to K. crenata. K. cranata had the strongest activity against S. typhi with its highest zone of growth inhibition of 20 mm and lowest zone of inhibition of 7 mm while V. amygdalina produced a consistent zone of growth inhibition of 5-6 mm; The combined effect produced a zone inhibition diameter only at the 100 mg/ml with a zone of inhibition value of 14 mm. The subsequent lower concentrations did not show any activity against the microbes. At P-value = 0.05 two-way ANOVA statistics exhibited significant differences amongst the effects produced by the different extracts, though there were no substantial differences in the effects produced by the various concentrations.

Conclusion: The Salmonella strain was resistant to V. amygdalina than to K. crenata. At P-value = 0.05 there was a substantial difference in the sensitivity of the bacteria to the different extracts.
Molecular Characterization of Fungi Associated with Dump Site Soil
Authors: Ogbuji N. G. , Ataga A. E. , Tari-Ukuta P. M. , Olisedeme C. J.
Published: December 2021

Aims: A study was conducted to identify fungal species isolated from dumpsite soil in University of Port Harcourt using molecular techniques.

Methodology: Molecular methods for determining the species of a fungus based on the amplification and sequencing of the internal subscribed spacer (ITS) region of the fungal rRNA operon using molecular markers was applied. Soil sample was collected from a dumpsite in the University of Port Harcourt, Rivers State, Nigeria. Isolation of fungi associated with the dumpsite soil was carried out using spread plate method. Fungal genomic DNA was extracted using Quick-DNA Fungal/Bacterial Miniprep kit. The ITS1-2 gene of the isolates was amplified by Polymerase Chain Reaction (PCR) using the primer pair; ITS4 and ITS5.

Results: The sequences of the amplified ITS region were blasted against known sequences on the National Centre for Biotechnology Information (NCBI) database. Nucleotide sequence analysis revealed the species identity of the fungal isolates to be: Aspergillus fumigatus, Trichoderma harzianum, Aspergillus felis, Aspergillus templicola, Aspergillus flavipes, Aspergillus fumigatus and Cunninghamella binariae. Phylogenetic analysis was carried out to ascertain the relationship between the isolates and other closely-related isolates on GenBank. Isolates 2 (Trichoderma harzianum) and 7 (Cunninghamella binariae), 3 (Aspergillus felis) and 6 (Aspergillus fumigatus), and 4 (Aspergillus templicola) and 5 (Aspergillus flavipes) were found to be more closely related to each other.

Conclusion: The molecular techniques employed successfully identified the organisms to the species level as these techniques are based on the genetic constitution of organisms. The result obtained from this study will complement the information on the fungal organisms associated with dumpsite soil.
Foreign Body in the Anterior Chamber Presenting as Inflammatory Mass on the Iris
Authors: Arvinth Rajgopal , Zahari Mimiwati , Reddy Sagili Chandrasekhara
Published: December 2021

A 40-year- old male factory worker presented to our eye clinic with left eye pain, redness and blurring of vision, associated with history of an injury sustained while hammering a nail into the wall               three days ago.  He had mild symptoms at the onset of the injury.  Slit lamp examination of left eye showed a small, self-sealed laceration corneal wound at the temporal limbus and a smooth, well      defined, oval mass on the iris in the anterior chamber in the lower temporal quadrant. Rest of the anterior segment and fundus were normal. X-ray orbits showed no intraocular foreign body in the             left eye.  In view of clinical suspicion, we proceeded with a CT scan of orbits which showed the presence of a small metallic foreign body in the anterior chamber of left eye. After giving topical antibiotic, cycloplegic, and corticosteroid eye drops along with systemic antibiotics for three days, we planned surgical removal of the mass in the anterior chamber. After the mass was removed, we noted a small metallic foreign body embedded within the fibrin mass. The same treatment was continued postoperatively. The left eye became white and quiet, and vision improved to 6/6 with above treatment. The key learning point presented is that when the history is suggestive of intraocular foreign body, even though the X-ray orbits does not show the foreign body one has to get CT scan of orbits done to rule out its presence, especially when there is inflammatory mass in the anterior chamber as seen in our case.
Antioxidant Potentials of Pentaclethra macrophylla Seed (Ugba) on Mercury Toxicity Induced Hepatic, Renal and Testicular Oxidative Stress in Male Albino Rats
Authors: Nwahiri J. D. , Tamuno-Emine D. G. , Nwachuku E. O. , Bartimaeus E. S.
Published: December 2021

Aim: This study aimed to evaluate the antioxidant potentials of Pentaclethra macrophylla seed (Ugba) on mercury-induced hepatic, renal and testicular oxidative stress in male Albino Rats.

Study Design: This study is an experimental study.

Place and Duration of Study: Department of Animal and Environmental Biology Animal House, Rivers State University, Port Harcourt, Nigeria, between January 2019 and January 2021.

Methodology: Thirty-six (36) adult male albino rats weighing approximately 135±1.5g were purchased from the University of Port Harcourt, Rivers State, Nigeria. They were housed in plastic suspended cages, placed in well-ventilated conditions and provided with rat diet and water, and acclimatized for two weeks. Fresh matured seeds of Pentaclethra macrophylla (African oil bean seed) were sourced locally from markets in Imo state, Nigeria.  The maceration technique was used to carry out an ethanolic extract of the plant seed. Mercury chloride salt was purchased from Port Harcourt. A standard dose of 3.0mg/kg body weight of mercury chloride obtained from acute toxicity study dose determination was administered to the rats for 30 days after they were divided into six groups of six rats per group. After 30 days, all the animals were weighed, anesthetized using chloroform. Tissue samples of liver, kidney, and testis were collected and homogenized in phosphate-buffered saline and stored at 40C for determination of oxidative stress assessment. Malondialdehyde, Reduced Glutathione (GSH), Catalase Activity, superoxide dismutase (SOD) activity, Glutathione Peroxidase Activity were analyzed using the homogenized sample. Data were expressed as mean ±SD, and the statistical analysis was performed with the SPSS statistics 23.0, and p values less than .05 were considered statistically significant.

Results: The results showed that there were significant increases (P<.05) in the liver, kidney, and testicular MDA and significant decreases (p<.05) in SOD, CAT, GSH, and GPx activities in group 2 rats versus control. However, after treatment with different concentrations of Pentaclethra macrophylla, MDA activity significantly decreased (P<.05), while SOD, CAT, GPx, and GSH significantly increased (P<.05).

Conclusion: The results obtained from the study showed that mercury chloride has the potential to cause liver, kidney, and testicular toxicity to adult male albino rats, and this toxicity was exerted majorly through oxidative stress and lipid peroxidation. However, treatment with Pentaclethra macrophylla seed extract ameliorated oxidative stress.
The Effect of Public Health Measures during the COVID-19 Pandemic on Smoking Dependence & Passive Smoking
Authors: Aljohani Mohammed Mater , Alluqmani Abdullah Yussef , Alrehaili Eyas Abdulqader , Almohammadi Mohammed Naji , Alahmadi Hisham Abdullah , Mohamed Khalid Gaffer
Published: December 2021

Background: According to increasing concern about the COVID-19 pandemic and the risk of smoking this study was conducted to find the effect of health measures during the COVID-19 pandemic on smoking dependence & passive smoking.

Methods: A cross-sectional study was conducted in September 2020, by using a valid and reliable questionnaire, the data were analyzed by using SPSS, version 20 software.

Results: The study showed 16.9% of participants increased their nicotine use and 12.4% decreased their nicotine use. Despite no significant change in smoking dependence, we found that smokers who used to smoke more than 30 cigarettes per day before the quarantine increased by two folds. In addition, we found that smokers who awaken at night sometimes to have cigarettes before quarantine had increased markedly by 50% during quarantine. Furthermore, smokers who had an extreme urge to smoke over the week before the quarantine have elevated markedly during the quarantine from 31 smokers to 60. Also, over 35.2 % of surveyed individuals experienced a rise in smoking desire during the quarantine.

Regarding passive smoking, the surveyed individuals reported a generally slight decline in exposure to secondhand smoking. However, the number of exposed individuals to smoking for more than 8 hours increased by 27%.

Conclusion: During the lockdown, individuals smoked marginally more cigarettes compared to the periods before the lockdown with no significant change in smoking dependence. There was a slight decline in exposure to secondhand smoking. However, the number of exposed individuals to household smoking for more than 8 hours had been increased.
Multi-Institutional Clinical Forensic Dermatology Training for Dermatology Residents
Authors: Kazmi Maha , Maju Mehar , Montejano Rubi Danielle , Rodriguez Ivan , Kivlahan Coleen , Castillo Valladares Herbert B.
Published: January 2025

This survey study investigates the results of a multi-institutional clinical forensic dermatology training for residents.
Outcomes of Importance to Patients Living With Cutaneous Chronic Graft-vs-Host Disease
Authors: Baumrin Emily , Cronholm Peter F. , Kearney Matthew D. , Mengesha Mlka , Cesar Laura G. , Keddem Shimrit , Schapira Marilyn M. , Lee Stephanie J. , Loren Alison W. , Gelfand Joel M.
Published: January 2025

Importance

Cutaneous chronic graft-vs-host disease (GVHD) is independently associated with morbidity and mortality after allogeneic hematopoietic cell transplant. However, the health-related quality-of-life (HRQOL) domains that are most important to patients are poorly understood.

Objective

To perform a concept elicitation study to define HRQOL in cutaneous chronic GVHD from the patient perspective and to compare experiences of patients with epidermal vs sclerotic disease.

Design, Setting, and Participants

A single-center qualitative analysis from open-ended, semistructured interviews and free-listing terms conducted between April and September 2023. Participants were 18 years or older with a diagnosis of active cutaneous chronic GVHD, purposefully sampled for epidermal and sclerotic disease features, with ongoing sampling until thematic saturation.

Main Outcomes

HRQOL domains and codes from patient perspectives of living with cutaneous chronic GVHD were identified by inductive analysis of semistructured interviews. Smith salience index (Smith S) score, a measure of saliency for each list term, was calculated from free-listing terms from deidentified patient interviews.

Results

A total of 31 adults with cutaneous chronic GVHD (median [IQR] age, 61.1 [52.9-68.7] years) participated in interviews; 17 participants (54.8%) were male and 14 (45.2%) were female. Nine participants (29.0%) had epidermal, 13 (41.9%) sclerotic, and 9 (29.0%) a combination of disease types. The study identified 40 codes of importance grouped within 5 HRQOL domains: skin changes and symptoms, social functioning, psychological and emotional functioning, physical functioning, and general health perceptions. The most frequent symptoms were dry skin (n = 20 [65%]), tight skin (n = 19 [61%]), itch (n = 15 [48%]), and discoloration (n = 14 [45%]), which were seen in all disease subtypes. Impairment in social functioning was noted by all participants. Psychological and emotional functioning, including frustration (Smith S score, 0.32) and worry or concern (Smith S score, 0.12), and symptoms including discomfort (Smith S score, 0.20) were the most salient to patients. Individual and environmental factors, such as social comparison, illness comparison with cancer, anatomic location of disease involvement, and disease duration, affected the relationship between skin changes and symptoms and downstream functioning and general health perceptions.

Conclusions and Relevance

This qualitative analysis demonstrated the direct relationship between cutaneous chronic GVHD and HRQOL domains and identified codes not represented in existing GVHD- and dermatology-specific patient-reported outcome measures. These results can guide patient-reported outcome development and instrument selection for clinical trials and improve clinical decision-making.
Granulomatous Cheilitis in a Young Woman
Authors: Su Zheng , Zhao Si-Jia , Zeng Yue-Ping
Published: January 2025

This case report describes a young woman with a diffusely swollen lower lip, normal tongue, and no history of local trauma, irritants, or allergies.
Clinical Perspectives on the Pathophysiology of Facial Synkinesis
Authors: Rail Benjamin , Henn Dominic , Wen Y. Edward , Tavares-Ferreira Diana , Rozen Shai M.
Published: January 2025

Importance

Facial synkinesis refers to pathologic cocontraction and baseline hypertonicity of muscles innervated by the facial nerve, commonly attributed to the aberrant regeneration of nerve fibers following injury. The pathomechanism and optimal treatment of facial synkinesis remain unclear. The goal of this review is to highlight current understanding of the epidemiology, pathophysiology, clinical presentation, assessment, and treatment of facial synkinesis.

Observations

Research into the epidemiology and risk factors of facial synkinesis is limited due to a lack of large databases tracking patients with facial palsy, inherent selection bias, and the wide range of symptom severity. Misguided nerve regeneration, polyneuronal innervation, and cortical changes are implicated in the development of synkinesis, and a better understanding of these mechanisms is required to develop new treatments. The clinical presentation of facial synkinesis varies considerably among patients, and important prognostic questions regarding timing of onset and progression of symptoms remain incompletely answered. Current management options for facial synkinesis include noninvasive modalities, chemodenervation, myectomy, and selective neurectomy. Potential new treatments for facial synkinesis are being investigated in animal models, but few have been tested in humans.

Conclusions and Relevance

The treatment of facial synkinesis is currently hindered by limitations in clinical research and understanding of pathomechanism. Current studies predominantly yield level 4 evidence or lower. The development of large datasets of patients with facial palsy and the translation of basic science evidence to humans will facilitate the advancement of new treatments.
Bilateral Expansile Perigeniculate Lesions in a Patient With Idiopathic Intracranial Hypertension
Authors: Lee Lawrance , Bentan Mihai , Manzoor Nauman F.
Published: January 2025

A 39-year-old female with a history of idiopathic intracranial hypertension presented with right aural fullness, pulsatile tinnitus, and conductive hearing loss. What is your diagnosis?
Twisted GeS Nanowire with Engineered Stacking Order and Tunable Composition
Authors: Wu Qi , Pan Xuan , Zhao Weiwei , Gao Yuan , Zhao Dawei , Yan Shancheng , Li Taotao , Miao Feng , Fei Zaiyao , Shi Yi
Published: January 2025

One‐dimensional (1D) nanoarchitectures crafted from van der Waals (vdWs) layered crystals with unconventionally stacking orders have demonstrated novel and inspiring properties. Recently, helical germanium sulfide (GeS) crystals with discretely twisted structures are grown, inducing interlayer twist. Here, 1D twisted nanowires with engineered stacking order and bandgap are further prepared. Due to the axial screw dislocation, the crystallized GeS layers rotate to form twisted nanowires during the vapor−liquid−solid (VLS) process. Moreover, substitutional alloying of germanium selenide (GeSe) not only allows for a tunable bandgap, but also preserves the intrinsic twist in the alloy nanowires. Unlike normal nanowires, the pronounced second harmonic generation (SHG) signal definitely confirms broken inversion symmetry caused by the atypical stacking order. Enhanced photoelectronic properties are observed in these twisted GeS nanowires. The findings present significant opportunities for future electronics and optoelectronics applications by harnessing 1D vdWs nanoarchitectures with engineered stacking order and composition‐controlled bandgaps.
Lattice Plainification and Intercalation Advances Power Generation and Thermoelectric Cooling in n‐type Bi2(Te, Se)3
Authors: Peng Jiayi , Liu Dongrui , Bai Shulin , Wen Yi , Liang Huiqiang , Su Lizhong , Qian Xin , Wang Dongyang , Gao Xiang , Ding Zhihai , Cao Qian , Pei Yanling , Qin Bingchao , Zhao Li‐Dong
Published: January 2025

Bismuth telluride (Bi2Te3) has been the only commercialized material in thermoelectric cooling and waste heat recovery. However, the inferior performance for n‐type Bi2(Te, Se)3 largely restricts the practical applications. In this study, additional Ag atoms are introduced utilizing lattice plainification strategy to enhance electrical performance. Observations indicate that Ag atoms situate in the van der Waals layers, acting as n‐type dopants to increase carrier concentration, bonding with adjacent Te as intercalating atoms to form electron transport channels, while also suppressing the formation of Te vacancies to boost carrier mobility, substantially favoring carrier transport. Consequently, Bi2Te2.79Se0.21I0.004+0.3%Ag achieves an excellent room‐temperature ZT of ≈1.1, while Bi2Te2.79Se0.21I0.004 + 0.4%Ag demonstrates a higher average ZT of ≈1.1 at 300–523 K. Furthermore, a full‐scale thermoelectric cooler using optimized Bi2Te2.79Se0.21I0.004+0.3%Ag combined with commercial p‐type Bi0.5Sb1.5Te3 has achieved a maximum cooling temperature difference (ΔTmax) of ≈68.3 K at 300 K and a larger ΔTmax of ≈84.8 K at 343 K. Additionally, the Bi2Te2.79Se0.21I0.004 + 0.4%Ag/Bi0.5Sb1.5Te3‐based power generator realizes a conversion efficiency of ≈6.0% under a ΔT of ≈240 K. These results outperform commercial Bi2Te3‐based devices, illustrating the effectiveness of lattice plainification for Bi2Te3‐based thermoelectrics.
Traps, Tail States and Their Consequences on the Open‐circuit Voltage in Organic Solar Cells
Authors: Krebs Tobias , Göhler Clemens , Kemerink Martijn
Published: January 2025

All that remains to reliably beat the 20% efficiency hurdle in organic solar cells are the relatively low open‐circuit voltages (VOC). A still‐needed step toward solving this problem is to shed light on the mechanisms behind these losses, and herein it is focused on understanding the roll‐off of VOC at low temperatures, which has been linked to various detrimental processes. Here, a light intensity sweep is added to the temperature‐dependent measurements and the resulting trends are compared with a kinetic analytical model that not only incorporates all previously suggested explanations for the temperature dependence of VOC, but, importantly, also includes carrier density contributions to the electron and hole mobilities by treating the density of states (DOS) of the active layer as a two‐level system. It is found that this description is sufficient to quantitatively explain VOC roll‐off in terms of charges getting trapped in intrinsic tail states of the Gaussian DOS without having to assume the presence of extrinsic traps.
Solvent Effects in the Reactions of Alkenes with gem‐Bis(triflyl)ethylene
Authors: Yanai Hikaru , Sano Reon , Hoshikawa Shoki , Matsumoto Takashi
Published: January 2025

The reaction modes in the reactions of several alkenes with Tf2C=CH2 (Tf=CF3SO2) have been controlled by the reaction solvents. For example, although the reaction with allylsilanes selectively produced normal allylation products in MeCN, gem‐bis(triflyl)cyclopentanes were formed in toluene. In particular, a selective formation of the (3+2) cycloadducts was achieved by using sterically hindered allylsilanes. We also found notable solvent effects in the reaction with simple alkenic hydrocarbons. That is, in hot toluene, the Alder ene reaction of the alkenes with Tf2C=CH2 smoothly proceeded to give the corresponding (E)‐alkenes bearing a superacidic bis(triflyl)methyl group.
Synthesis, DFT Calculations, and Molecular Docking Study of New Aggregation‐Induced Emission Lumiogens Based on Thieno[2,3‐d]pyrimidine Moiety
Authors: Mohamed Manar Kh. , Mohammed Ahmed A. K. , Aly Morsy M. M. , Gaber Abdel‐Aal M. , Saddik Abdelreheem A.
Published: January 2025

The discovery of novel Aggregation‐Induced Emission (AIE) systems based on heterocyclic compounds holds significant potential. In this study, a series of new AIE systems based on thieno[2,3‐d]pyrimidine moiety synthesized and characterized by spectroscopic analyses. These compounds exhibited weak emission in DMSO solution but displayed strong solid‐state fluorescence at λmax=556, 527, 527, and 515 nm for compounds 7 a, 7 b, 7 c, and 7 e respectively. Additionally, compound 10 exhibited emission at 480 nm in DMSO, which was red‐shifted to 490 nm in the solid state. Furthermore, the AIE behavior for these compounds was investigated in different DMSO/H2O fractions. Compounds 7 a–c, 7 e, and 10 exhibits a typical AIE behavior since these compounds showed weak fluorescence intensity in pure DMSO but sharply increased while the water content reached 80 % in the case of compounds 7 a–c, and 7 e, and 90 % in compound 10. Moreover, Density Functional Theory (DFT) calculations supported the role of molecular packing and intermolecular interactions in modulating the luminescence properties. Molecular docking studies suggested the potential of these AIE compounds as anticancer agents. Compound 7 a exhibits a strong binding affinity of −9.6 kcal/mol for CDK‐2 compared with abemaciclib, palbociclib, and ribociclib drugs, indicating its potential as a potent CDK‐2 inhibitor.
Opening the Cabinets: A Critical Evaluation of Skeletal Teaching Collections in the United States
Authors: Gruenthal‐Rankin Ariel , Somogyi Tessa
Published: January 2025

The collections of human remains within our university laboratories and classrooms are considered by many to be integral to teaching osteology. However, as an outgrowth of the Western scientific tradition of mind/body dualism, human remains within skeletal teaching collections are often regarded differently than those in museums or applied contexts. From processing to storage, the personhood of each individual becomes abstracted as we purchase, “inherit,” handle, organize, and digitally scan their bones for teaching purposes. In this way, skeletons within teaching collections are ontologically transformed from people to objects. The objectification of human bodies is rooted in Enlightenment era scientific practices that are directly connected to colonialism and white supremacy. Here, we argue that the anonymization of the skeletons of people in academic institutions, and the maintenance of non‐consent‐based skeletal collections, perpetuates structural violence on the deceased and their descendant communities. We critically examine the origins and ethics of non‐consent‐based anatomical teaching collections and discuss the violence within these assemblages. Finally, we develop practical steps toward a more humanistic and ethical osteological classroom and pedagogy. Suggested strategies include ceasing the use of skeletal individuals for whom consent is unknown or non‐existent and instead using only skeletal or replica skeletal materials from those who have donated or willed their bodies and engaging with critical pedagogical perspectives to challenge norms in our field.
2,3 : 6,7‐Naphthalenediimide‐Based Chiral Triangular Macrocycle: Self‐Assembled Helix, Outer π‐Surface Directed Co‐Assembly and Circularly Polarized Luminescence
Authors: Wu Shengfu , Song Xin , Lu Jie , Hao Wenchao , Liu Minghua
Published: January 2025

Here, we report the synthesis and self‐assembly of a novel chiral 2,3 : 6,7‐naphthalenediimide‐based triangular macrocycle (NDI‐Δ) and its chiroptical properties. The enantiomeric NDI‐Δ is synthesized by condensation of (RR) or (SS)‐trans‐1,2‐cyclohexanediamine and 2,3,6,7‐naphthalenetetracarboxylic 2,3 : 6,7‐dianhydride, in which the chirality of the macrocycles is controlled by the diamine. With the rigid outer π‐surface, the macrocycle exhibits unique chiroptical properties and self‐assembly modes. The NDI‐Δ shows circularly polarized luminescence (CPL) in solution and can self‐assemble into helical structures with the inversion of CPL signal and the enhancement of |glum|. Moreover, the NDI‐Δ has a tailored electron‐deficient outer π‐surface, which can co‐assemble with an electron‐rich anthracene (AN) to form an intermolecular charge transfer (CT) complex, generating a yellow‐green CT‐CPL. Crystal structure analysis confirms that AN is mounted on the outer surface of NDI‐Δ through π‐π stacking and C−H
π interactions. This work provides a critical example for the self‐assembly of macrocycles into helical structures and outer π‐surface directed CT complexes formation, opening up a new clue for designing chiral macrocycle‐based chiroptical materials.
From Guest‐Induced Crystallization to Molecular Imprinting: Calculation‐Guided Discovery of Hydrogen‐Bonded Tetrazole Frameworks for p‐Xylene Separation
Authors: Su Yi , Gao Qiang , Ding Xiaojun , Ye Gang
Published: January 2025

Exploring host–guest interactions to regulate hydrogen‐bonding assembly offers a promising approach for developing advanced porous crystal materials (PCMs). However, screening compatible guests with appropriate geometries and host–guest interactions that could inhibit the dense packing of building blocks remains a primary challenge. This study presents a novel guest‐induced crystallization (GIC) strategy, guided by thermodynamic calculations, to develop porous hydrogen‐bonded organic frameworks (HOFs) using structurally challenging tetrazole building units. Thermodynamic principles are established from the crystal structure data and the density functional theory calculation of the formation energy (ΔE). This provides criteria to identify available guests in GIC, enabling the successful discovery of a hidden HOF that is kinetically challenging to crystallize. Furthermore, the potential application for p‐xylene (PX) separation is predicted by analyzing the ΔE of guest‐induced HOFs. A high PX selectivity (PX/m‐xylene=6.1, PX/o‐xylene=7.2, and PX/ethylbenzene=4.1) is achieved through selective inclusion of PX from C8 aromatic isomers within the guest‐induced HOFs. Significantly, the guest‐free HOF (HOF‐PX‐a), bearing PX‐templated cavities derived from molecular imprinting, shows a record‐high PX/ethylbenzene selectivity (21.7) in liquid adsorption. This work elucidates the underpinning self‐assembly rules of GIC for HOF construction, providing exciting new opportunities for the predictable assembly of PCMs for molecular recognition and target‐specific separations.
Scrolled Poly(L‐Lactic Acid) Single Crystals via Chain End‐Induced Symmetry‐Breaking
Authors: Yu Shichen , Kim Seyong , Ojima Kingsley O. , Zhao Bin , Li Christopher Y.
Published: January 2025

Single crystals that do not obey translational symmetry have been reported in various material systems. In polymers, twisted crystals are typically formed in banded spherulites, while a class of non‐flat polymer single crystals (PSCs) has been observed. Herein, we report the formation of scrolled single crystals of biodegradable polymer poly(L‐lactic acid) (PLLA). While classical 2‐dimensional single crystals formed in solution‐crystallized PLLA are flat, we show that PLLA crystals bend into scrolls when the polymer molecular weight is low. The formation of these unique scrolled PLLA single crystals depends on polymer chain ends and the polymer molecular weight. This work, therefore, demonstrates a new mechanism to break translational symmetry in PSC growth.
Spectroscopic, Structural Analysis, Molecular Orbital, Molecular Docking, and Antibacterial Activity of the Thiocarbohydrazone Ligand and Its Complexes
Authors: Gomha Sobhi M. , Saleh Mahmoud G. A. , El‐Sayed Wael A. , Alsehaibani Hamad Abdullah H. , Abd El Salam Hayam A. , El‐Samahy Fatma A. , Mohamed Gehad G. , Zayed Ehab M.
Published: January 2025

New thiocarbohydrazone ligand (N′‐((E)‐3,3‐diphenyl‐2,3‐dihydro‐1H‐inden‐1‐ylidene)‐2‐((Z)‐2‐oxoindolin‐3‐ylidene)hydrazine‐1‐carbothiohydrazide; H2L) and its Co (II), Ni (II), Fe (III), Cu (II), Cd (II), Zn (II), and Mn (II) complexes were prepared in good yields ranging from 60% to 90% and characterized by spectroscopic and analytical tools. Uv–vis, magnetic measurements, molar conductivity, 1H‐NMR spectra, elemental analyses, and FT‐IR were performed. The structural formula for the examined ligand was improved using the Gaussian09 tool. The morphology of the thiocarbohydrazone ligand and metal complexes was demonstrated using a scanning electron microscope. The prepared thiocarbohydrazone ligand and its complexes were evaluated for their antimicrobial properties against Streptococcus mutans and Staphylococcus aureus as G‐positive bacteria; Escherichia coli, Klebsiella pneumoniae, and Pseudomonas aeruginosa as G‐negative bacteria; and some species of fungi as Aspergillus niger and Candida albicans. It was found that thiocarbohydrazone ligand was less biologically active than the targeted complexes as indicated from the obtained inhibition zone diameters. The interaction between the ligand and the amino acids of the proteins of G‐positive bacteria (Staphylococcus typhus‐3ty7), G‐negative bacteria (E. coli‐3t88), and fungi (C. albicans‐5k04) as receptors was investigated using molecular docking study to correlate the experimental and theoretical observations.
Synthesis, Characterization, and Catalytic Properties of Regioisomeric β‐Ketoimine Titanium Complexes for Ethylene Polymerization
Authors: Huang Pingzhou , Tang Wanjun , Xue Mengyuan , Zhou Ming , Tu Wei , Li Tingcheng , Xie Guangyong
Published: January 2025

Non‐metallocene catalysts have shown great potential for modulating the polymer microstructure by changing the ligand structure, but the effects of ligand structure and electronic property of metal center on their catalytic performance remain underexplored. Herein, we designed and synthesized two pairs of isomeric tridentate β‐ketoimine complexes TiLa/TiLb and TiLc/TiLd with methylthioaniline and methylthioethylamine side arms, respectively, which exhibited moderate to extremely high activity over 106 g (mol Ti)−1· h−1·atm−1 for the polymerization of ethylene and the copolymerization of ethylene with α‐olefins (1‐hexene, 1‐octene) and polar comonomer (9‐decen‐1‐ol) in the presence of MAO, with the catalytic activities in the order: TiLd > TiLc > TiLa > TiLb. The regioisomers TiLc and TiLd with methylthioethylamine side arm showed significantly higher activity for ethylene (co)polymerization than that of the isomeric TiLa and TiLb with methylthioaniline side arm, especially for ethylene copolymerization with α‐olefins or polar comonomer 9‐decen‐1‐ol, indicating an obvious positive “comonomer effect”. The complex TiLd exhibited the highest ethylene (co)polymerization activity and comonomer insertion rate. Structural optimization using density functional theory (DFT) calculations suggested that the “side arms” and the electronic properties of titanium in β‐ketoimine titanium complexes played a key role for ethylene polymerization and copolymerization.
Glycals as Chiral Synthons in Organic Synthesis of Privileged Molecular Scaffolds
Authors: Yadav Yogesh , Sagar Ram
Published: January 2025

Chirality is a vital characteristic of molecules and crucial for biological functioning. Glycals are unsaturated chiral sugars that contain an enolic double bond within the ring structure and they introduce the chirality in the molecular scaffolds. Since their discovery and synthesis by Fischer and Zach in 1913, they have been used as a flexible chiral synthon for synthesising natural products and biologically significant molecules. An important area of study in organic synthesis involves functionalizing glycals, with particular emphasis on creating novel molecular scaffolds with a common backbone using various topologies. This review discusses recent advancements in synthesizing chiral molecules, emphasizing the innovative use of glycals as chiral synthons, and covers literature from 2020 to the present.
Chemical Composition, Antimicrobial, and Enzyme Inhibitory Properties of Elaeagnus angustifolia L.
Authors: Zor Melek , Sağlamtaş Rüya , Demirci Abdullah , Ceyran Ertuğrul , Fettahoğlu Kübra , Demir Yeliz
Published: January 2025

Research on natural antioxidants derived from plants has surged due to their potential health benefits. In the current study, the chemical composition, enzyme inhibitory activity, and antimicrobial effects of the Elaeagnus angustifolia L. plant, including leaves, flowers, and flower stalk (FS) extracts, were analyzed. A total of 28 compounds were identified across the different plant parts, with 24 in flowers (F), 9 in FSs, and 14 in leaves (L). The antimicrobial activity of the extracts was evaluated using the disk diffusion method against two Gram‐positive (Staphylococcus aureus and Bacillus cereus) and two Gram‐negative bacteria (Escherichia coli and Klebsiella pneumoniae). The minimum inhibitory concentration (MIC) was determined as 3.13–12.50 mg/mL. The measured zone diameters were also in the range of 5–8 mm. The results indicated that the methanol extracts exhibited significant antimicrobial properties. Additionally, the extracts demonstrated strong inhibition of cholinesterases (acetylcholinesterase [AChE]: 11.14 ± 0.11–18.11 ± 0.12 µg/mL; butyrylcholinesterase [BChE]: 32.54 ± 0.55–44.61 ± 0.17 µg/mL) and moderate inhibition against α‐glycosidase and tyrosinase enzymes. Moreover, the molecular docking interaction of trans‐ferulic, shikimic, and vanillic acids, the most abundant phenolic compounds in the extracts, with AChE, BChE, α‐glycosidase, and tyrosinase, was assessed using AutoDock Vina software. E. angustifolia L. possesses a high phenolic content and exhibits significant antioxidant and enzyme inhibitory capabilities, which may contribute to its extensive utilization in food and traditional medicine.
Synthesis and Anticancer Studies of Pt(II) Complex Derived From 4‐Phenylthiosemicarbazone
Authors: Gai Shuangshuang , Meng Lili , Qin Yiming , Jiang Ming
Published: January 2025

Although cisplatin is widely used as a first‐line chemotherapy agent, it has significant side effects. Herein, we synthesized a Pt(II) complex (Pt1) derived from o‐vanillin‐4‐phenylthiosemicarbazone ligand and confirmed its crystal structure by x‐ray crystallography. Complex Pt1 exhibited potent anticancer activity against various tested cancer cell lines, with particular efficacy against HepG‐2 cells. Further investigations revealed that Pt1 inhibited the growth of HepG‐2 cells through multiple mechanisms, including the generation of excessive reactive oxygen species (ROS), induction of DNA damage, enhancement of mitochondrial membrane permeability, promotion of apoptosis, and activation of autophagic cell death.
Strategies to Enhance the Therapeutic Efficacy of GLP‐1 Receptor Agonists through Structural Modification and Carrier Delivery
Authors: Zhang Tingting , Liu Sainan , He Suning , Shi Linqi , Ma Rujiang
Published: January 2025

Diabetes is a metabolic disorder characterized by insufficient endogenous insulin production or impaired sensitivity to insulin. In recent years, a class of incretin‐based hypoglycemic drugs, glucagon‐like peptide‐1 receptor agonists (GLP‐1RAs), have attracted great attention in the management of type 2 diabetes mellitus (T2DM) due to their benefits, including stable glycemic control ability, a low risk of hypoglycemia, and weight reduction for patients. However, like other peptide drugs, GLP‐1RAs face challenges such as instability, susceptibility to enzymatic degradation, and immunogenicity, which severely limit their clinical application. In recent years, various strategies have been developed to improve the bioavailability and therapeutic efficacy of GLP‐1RAs, including structural modification and carrier‐mediated delivery. This article briefly introduces the research and application status of several common GLP‐1RAs and their limitations. Taking exendin‐4 as an example, we focus on the research progress of improving bioavailability and therapeutic efficacy based on structural modification and carrier delivery strategies, aiming to provide reference for the development of new GLP‐1RAs treatment systems.
Pneumatosis Intestinalis and Concurrent Focal Diaphragmatic Pneumatosis Cystoides Presenting With Pneumoperitoneum in a 20 Year‐Old Male: A Case Report
Authors: Fasih Manal , Colucci Patricia , Monday Kara
Published: January 2025

Pneumatosis cystoides intestinalis can present with concurrent diaphragmatic cysts, a previously undocumented phenomenon. Surgical management may be required, but further investigation is needed to understand the pathogenesis and optimize management in atypical and chronic cases, such as this case with a history of corrected intestinal malrotation.
Crystallographic characterization of Ag‐doping in nanocrystallite hydroxyapatite and evaluation of photocatalytic activity of organic pollutants
Authors: Sahadat Hossain Md. , Sarkar Shifa , Ahmed Samina
Published: January 2025

Pure and different percentages (0.25, 0.5, 1.0, and 2.5%) of silver (Ag) doped hydroxyapatites (Hap) were synthesized employing the wet chemical precipitation method. The samples were characterized with the aid of X‐ray diffraction (phase analysis, crystallographic characterization, and crystal size calculation using Scherrer equation and different models), scanning electron microscopy, and optical bandgap energy. The Hap containing 0.25% Ag showed better photocatalytic activity in various dye concentrations, catalyst doses, and pH. At a very low catalyst dose (0.375 g/L) and 20 ppm pollutant concentration, reaction rate, and rate constant were evaluated for the Congo Red dye, ciprofloxacin, amoxicillin, and levofloxacin. The maximum rate constant (0.0028 min−1) and reaction rate (9.657 × 10−8 mole L−1·min−1) were found for Congo Red dye and ciprofloxacin, respectively, using 0.25_Ag‐Hap (0.25% Ag‐doped Hap). The energies of the valance band (3.14 eV) and conduction band (−0.36 eV) were lower in the case of 0.25_Ag‐Hap than the other samples. Simplified reaction mechanisms were proposed for the photocatalytic degradation of Congo Red dye, ciprofloxacin, amoxicillin, and levofloxacin.
Red mud incorporated clay roof tiles as visible light‐active photocatalysts for building applications
Authors: Özdemir Erdem Tevfik , Yavaş Ahmet , Güler Saadet , Erol Mustafa
Published: January 2025

This study aims to enhance the self‐cleaning properties of clay roof tiles by incorporating red mud as an industrial waste. This approach contributes to a sustainable environment by upcycling waste and developing an improved building material. Various analyses were conducted to compare the physical, structural, morphological, elemental, and optical properties of clay tiles with varying amounts of red mud. The characterization results indicated that the addition of red mud to clay roof tiles resulted in homogeneous and uniform tiles with enhanced physical properties. The red mud‐mixed clay roof tiles exhibited photocatalytic activity for the oxidation of methylene blue dye. Notably, while adding more than 5% red mud improved the physical properties, the optimal photocatalytic activity was observed in clay roof tiles with a 5% red mud addition. This study underscores the dual benefits of this approach: improving the functional properties of clay roof tiles and promoting the valorization of industrial waste.
Reversed Allylation of 3‐Alkenyl Indoles Using Allyl Boronic Acids: Access to Tryptamine Based Alkaloids
Authors: Ghosh Minakshi , Saha Shuvendu , Sudan Maji Modhu
Published: January 2025

All‐carbon quaternary and tertiary stereocenters connected at the C2‐position of functionalizable C3‐alkylated indole nucleus are commonly occurring frameworks found in many indole alkaloids of medicinal importance. Their direct access is scarcely reported, a long‐standing problem, and developing a unique yet simple method can pave the pathway to an entirely different retrosynthetic route for the total synthesis of these alkaloids. Herein, this problem is addressed by developing an unprecedented branch‐selective allylation strategy employing a broad range of structurally and electronically different 3‐alkenyl‐indoles and allylboronic acids. The use of readily accessible starting precursors renders this method attractive for the total synthesis of indole alkaloids. The present strategy shows excellent functional group tolerance, atom economic, redox‐neutral, scalable and easy to operate. The DFT calculation on the possible transition states indicated that allylboronic acid acts as a nucleophile rather than a more reactive boroxine. Mechanistically, this strategy is designed by exploiting the loss as well as regaining the indole's aromaticity. The utility of this method is demonstrated in the total syntheses of seven prenylated tryptamine alkaloids and the first total syntheses of dimeric indole alkaloids, fluevirine E and mucronatin B.
Is There an Association Between Living in a Rural Area and the Incidence of Postoperative Complications or Hospital Readmissions Following Left Ventricular Assist Device (LVAD) Implantation, Compared to Urban Lvad Recipients? A Systematic Review
Authors: Gollapudi Samrat , Gollapudi Abhiram , Banala Sri , Singh Sheraj , Tadi Kiran
Published: January 2025

Background

Left ventricular assist devices (LVADs) are utilized as a therapeutic option for patients with end‐stage heart failure. While LVAD implantation can enhance survival rates and quality of life, the procedure has its risks, and postoperative complications are common. This review aims to investigate whether there is an association between living in a rural area and the incidence of postoperative complications or hospital readmissions following LVAD implantation, compared to urban LVAD recipients.

Methods

A comprehensive literature review examined studies that compared postoperative outcomes between rural and urban LVAD recipients. Data on adverse events, hospitalizations, and mortality rates were extracted, focusing on the impact of geographic location on these outcomes.

Results

The review found that rural LVAD recipients may be at a higher risk for certain complications, including gastrointestinal bleeding, ventricular arrhythmias, LVAD complications, and stroke. Rural patients also exhibited higher instances of emergency department visits and hospital readmissions. Despite these challenges, survival rates and heart transplantation outcomes at 1 year were similar between rural and urban recipients. However, rural patients exhibited a higher driveline infection rate at 1 year.

Conclusion

The findings of this review suggest that rural residency may be associated with an increased risk of certain postoperative complications and hospital readmissions following LVAD implantation. These results highlight the need for healthcare strategies to address the challenges faced by rural LVAD recipients. Further research is necessary to understand the relationship between geographic location and LVAD outcomes and to develop interventions that can improve postoperative care for this vulnerable population.
Imatinib dose reduction after major molecular response in chronic‐phase chronic myeloid leukemia
Authors: Li Zongru , Zhang Xiaoshuai , Zhao Yijing , Lu Linping , Guo Yong , Gale Robert Peter , Qin Yazhen , Jiang Qian
Published: January 2025

Background

In people with chronic‐phase chronic myeloid leukemia (CML) receiving imatinib and achieving major molecular response (MMR), dose reduction may decrease adverse events but may be associated with a loss of molecular response. Whether digital droplet polymerase chain reaction (ddPCR) can identify persons in whom dose reduction might be unsuccessful is unknown.

Methods

Data from 716 consecutive subjects who achieved MMR after initial imatinib therapy (400 mg/day) were obtained. A total of 486 subjects remained on full‐dose imatinib, whereas 230 subjects had their dose reduced to 300 or 200 mg/day. The outcomes of these cohorts were compared via landmark and propensity score matching analyses.

Results

Imatinib dose reduction showed no significant effect on the subsequent achievement of deeper molecular responses (4‐ and 4.5‐log reductions in BCR::ABL1 transcripts; MR4 and MR4.5), maintenance of MMR, or attainment of therapy‐free remission when compared with subjects without dose reduction. In subjects achieving MR4, however, the probability of maintaining MR4 (p = .002) was lower in the reduced‐dose group. In multivariable analyses, failure to achieve MR4.5 as determined by ddPCR at the time of dose reduction was significantly associated with briefer MMR failure‐free survival (FFS; hazard ratio [HR], 10.3; 95% confidence interval [CI], 1.3–82.9; p = .03) and MR4 FFS (HR, 6.8; 95% CI, 2.6–18.0; p < .001).

Conclusions

Imatinib dose reduction after achieving MMR does not adversely affect response deepening or MMR maintenance in chronic‐phase CML but compromises MR4 maintenance. The results of ddPCR may identify people who benefit from imatinib dose reduction.