Pub Date : 2024-08-09DOI: 10.3390/inorganics12080216
N. Maio
Iron–sulfur (Fe-S) clusters are critical to a wide range of biological processes, from DNA repair and transcriptional regulation to mitochondrial respiration and enzymatic catalysis [...]
铁硫（Fe-S）簇对从 DNA 修复和转录调控到线粒体呼吸和酶催化等一系列生物过程至关重要 [...] 。
{"title":"Iron–Sulfur Clusters: Assembly and Biological Roles","authors":"N. Maio","doi":"10.3390/inorganics12080216","DOIUrl":"https://doi.org/10.3390/inorganics12080216","url":null,"abstract":"Iron–sulfur (Fe-S) clusters are critical to a wide range of biological processes, from DNA repair and transcriptional regulation to mitochondrial respiration and enzymatic catalysis [...]","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141921262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-08-08DOI: 10.3390/inorganics12080214
Ahmed Hayali, M. Alkaisi
Perovskite solar cells (PSCs) have demonstrated remarkable progress in performance in recent years, which has placed perovskite materials as the leading promising materials for future renewable energy applications. The solvent additive technique in perovskite composition is a simple but effective process used to improve the surface quality of the perovskite layers and to improve the performance and charge transport processes essential to the functions of PSCs. These additives can have a considerable effect on the topography, crystallinity, and surface properties of the perovskite active layer, ultimately influencing the stability of the PSCs. A “two-step spin coating” deposition method to make PSCs in ambient air laboratory conditions was employed. Acetonitrile (ACN) was conventionally utilized as a chemical additive to enhance the performance of PSCs. In this study, our film properties exhibited that the incorporation of ACN in the triple cation perovskite precursor led to the passivation of surface defects and a noticeable increase in the size of the crystal grains of the perovskite films, which led to enhanced stability of devices. The efficiency achieved for PSCs prepared with 10% ACN was 15.35%, which is 30% higher than devices prepared without ACN. In addition, devices prepared with ACN have shown a lower hysteresis index and more stable behavior compared to devices prepared without ACN. This work presents an easy, low-cost method for the fabrication of high performance PSCs prepared under ambient air laboratory conditions.
{"title":"Improving Charge Transport in Perovskite Solar Cells Using Solvent Additive Technique","authors":"Ahmed Hayali, M. Alkaisi","doi":"10.3390/inorganics12080214","DOIUrl":"https://doi.org/10.3390/inorganics12080214","url":null,"abstract":"Perovskite solar cells (PSCs) have demonstrated remarkable progress in performance in recent years, which has placed perovskite materials as the leading promising materials for future renewable energy applications. The solvent additive technique in perovskite composition is a simple but effective process used to improve the surface quality of the perovskite layers and to improve the performance and charge transport processes essential to the functions of PSCs. These additives can have a considerable effect on the topography, crystallinity, and surface properties of the perovskite active layer, ultimately influencing the stability of the PSCs. A “two-step spin coating” deposition method to make PSCs in ambient air laboratory conditions was employed. Acetonitrile (ACN) was conventionally utilized as a chemical additive to enhance the performance of PSCs. In this study, our film properties exhibited that the incorporation of ACN in the triple cation perovskite precursor led to the passivation of surface defects and a noticeable increase in the size of the crystal grains of the perovskite films, which led to enhanced stability of devices. The efficiency achieved for PSCs prepared with 10% ACN was 15.35%, which is 30% higher than devices prepared without ACN. In addition, devices prepared with ACN have shown a lower hysteresis index and more stable behavior compared to devices prepared without ACN. This work presents an easy, low-cost method for the fabrication of high performance PSCs prepared under ambient air laboratory conditions.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141925481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-25DOI: 10.3390/inorganics12080201
V. Ferraro, Fabian Hoffmann, Olaf Fuhr, Burkhard Luy, Stefan Bräse
Mono- and binuclear Cu(I) complexes were isolated employing 2,1,3-benzoselenadiazole (BSeD) as the N-donor ligand, and triphenylphosphine or bis[(2-diphenylphosphino)phenyl] ether (DPEphos) as P-donors. Then, 77Se NMR was measured for the free ligand and the corresponding Cu(I) derivatives, and the related signal was downshifted by 12.86 ppm in the case of [Cu(BSeD)(PPh3)2(ClO4)], and around 15 ppm for the binuclear species. The structure of [Cu(BSeD)(PPh3)2(ClO4)] and [Cu2(μ2-BSeD)(DPEphos)2(ClO4)2] was confirmed by single-crystal X-ray diffraction. The geometry of the Cu(I) complexes was optimized through DFT calculations, and the nature of the Cu···O interaction was investigated through AIM analysis. The three Cu(I) complexes were characterized by intense absorption under 400 nm and, after being excited with blue irradiation, [Cu(BSeD)(PPh3)2(ClO4)] and [Cu2(μ2-BSeD)(PPh3)4(ClO4)2] exhibited weak red emissions centered at 700 nm. The lifetimes comprised between 121 and 159 μs support the involvement of triplet excited states in the emission process. The photoluminescent properties of [Cu(BSeD)(PPh3)2(ClO4)] were supported by TDDFT computations, and the emission was predicted at 710 nm and ascribed to a metal-to-ligand charge transfer (3MLCT) process, in agreement with the experimental data.
{"title":"2,1,3-Benzoselenadiazole as Mono- and Bidentate N-Donor for Heteroleptic Cu(I) Complexes: Synthesis, Characterization and Photophysical Properties","authors":"V. Ferraro, Fabian Hoffmann, Olaf Fuhr, Burkhard Luy, Stefan Bräse","doi":"10.3390/inorganics12080201","DOIUrl":"https://doi.org/10.3390/inorganics12080201","url":null,"abstract":"Mono- and binuclear Cu(I) complexes were isolated employing 2,1,3-benzoselenadiazole (BSeD) as the N-donor ligand, and triphenylphosphine or bis[(2-diphenylphosphino)phenyl] ether (DPEphos) as P-donors. Then, 77Se NMR was measured for the free ligand and the corresponding Cu(I) derivatives, and the related signal was downshifted by 12.86 ppm in the case of [Cu(BSeD)(PPh3)2(ClO4)], and around 15 ppm for the binuclear species. The structure of [Cu(BSeD)(PPh3)2(ClO4)] and [Cu2(μ2-BSeD)(DPEphos)2(ClO4)2] was confirmed by single-crystal X-ray diffraction. The geometry of the Cu(I) complexes was optimized through DFT calculations, and the nature of the Cu···O interaction was investigated through AIM analysis. The three Cu(I) complexes were characterized by intense absorption under 400 nm and, after being excited with blue irradiation, [Cu(BSeD)(PPh3)2(ClO4)] and [Cu2(μ2-BSeD)(PPh3)4(ClO4)2] exhibited weak red emissions centered at 700 nm. The lifetimes comprised between 121 and 159 μs support the involvement of triplet excited states in the emission process. The photoluminescent properties of [Cu(BSeD)(PPh3)2(ClO4)] were supported by TDDFT computations, and the emission was predicted at 710 nm and ascribed to a metal-to-ligand charge transfer (3MLCT) process, in agreement with the experimental data.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141804908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-24DOI: 10.3390/inorganics12080200
Christopher Webber, Erica K. Richardson, Diane A. Dickie, T. Gunnoe
Pyridine-alkoxide (pyalk) ligands that support transition metals have been studied for their use in electrocatalytic applications. Herein, we used the pyalk proligands diphenyl(pyridin-2-yl)methanol ([H]PhPyalk, L1), 1-(pyren-1-yl)-1-(pyridin-2-yl)ethan-1-ol ([H]PyrPyalk, L2), 1-(pyridine-2-yl)-1-(thiophen-2-yl)ethan-1-ol ([H]ThioPyalk, L3), and 1-(ferrocenyl)-1-(pyridin-2-yl)ethan-1-ol ([H]FePyalk, L4) to synthesize CuII complexes that vary in nuclearity and secondary coordination sphere. Also, the proligand 1-(ferrocenyl)-1-(5-methoxy-pyridin-2-yl)ethan-1-ol ([H]FeOMePyalk, L5) was synthesized with a methoxy substituted pyridine; however, the isolation of a CuII complex ligated by L5 was not possible. Under variable reaction conditions, the pyalk ligands reacted with CuII precursors and formed either mononuclear or dinuclear CuII complexes depending on the amount of ligand added. The resulting complexes were characterized by single crystal X-ray diffraction, elemental analysis, and cyclic voltammetry.
{"title":"Electrochemically Active Copper Complexes with Pyridine-Alkoxide Ligands","authors":"Christopher Webber, Erica K. Richardson, Diane A. Dickie, T. Gunnoe","doi":"10.3390/inorganics12080200","DOIUrl":"https://doi.org/10.3390/inorganics12080200","url":null,"abstract":"Pyridine-alkoxide (pyalk) ligands that support transition metals have been studied for their use in electrocatalytic applications. Herein, we used the pyalk proligands diphenyl(pyridin-2-yl)methanol ([H]PhPyalk, L1), 1-(pyren-1-yl)-1-(pyridin-2-yl)ethan-1-ol ([H]PyrPyalk, L2), 1-(pyridine-2-yl)-1-(thiophen-2-yl)ethan-1-ol ([H]ThioPyalk, L3), and 1-(ferrocenyl)-1-(pyridin-2-yl)ethan-1-ol ([H]FePyalk, L4) to synthesize CuII complexes that vary in nuclearity and secondary coordination sphere. Also, the proligand 1-(ferrocenyl)-1-(5-methoxy-pyridin-2-yl)ethan-1-ol ([H]FeOMePyalk, L5) was synthesized with a methoxy substituted pyridine; however, the isolation of a CuII complex ligated by L5 was not possible. Under variable reaction conditions, the pyalk ligands reacted with CuII precursors and formed either mononuclear or dinuclear CuII complexes depending on the amount of ligand added. The resulting complexes were characterized by single crystal X-ray diffraction, elemental analysis, and cyclic voltammetry.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141807293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-22DOI: 10.3390/inorganics12070199
Syed Najmul Hejaz Azmi, Mahboob Alam
This study reported the synthesis of ZnO nanoparticles (ZnO NPs) using Cucurbita pepo L. seed extract and explored their multifunctional properties such as anti-corrosion, photocatalytic, and adsorption capabilities. The synthesized ZnO NPs were characterized by Fourier-transform infrared spectroscopy (FTIR) to identify their functional groups, thermogravimetric analysis (TGA) to assess their thermal stability, transmission electron microscopy (TEM), and scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX) to determine their size, morphology, and elemental composition. The characterization of biofabricated ZnO NPs revealed an average particle size of 32.88 nm; however, SEM displayed a tendency for the particles to agglomerate. Furthermore, the X-ray diffraction (XRD) and EDX analysis confirmed the NPs as ZnO, matching patterns reported in the literature. In this study, the potential of the biogenic ZnO NPs was explored for multifunctional applications. Zinc oxide nanoparticles exhibited a higher capacity for adsorbing hydrogen sulfide (H2S) compared to bulk zinc oxide, mostly because of their larger surface area. In addition, electrochemical studies demonstrated a substantial enhancement in the corrosion resistance of mild steel in a 1.0 M HCl solution. ZnO NPs also demonstrated remarkable photodegradation effectiveness, reducing 75% of methyl orange in 60 min under sun-light irradiation. This implies that they could be used to remediate organic pollutants (organic dyes) from wastewater.
{"title":"Exploring the Anti-Corrosion, Photocatalytic, and Adsorptive Functionalities of Biogenically Synthesized Zinc Oxide Nanoparticles","authors":"Syed Najmul Hejaz Azmi, Mahboob Alam","doi":"10.3390/inorganics12070199","DOIUrl":"https://doi.org/10.3390/inorganics12070199","url":null,"abstract":"This study reported the synthesis of ZnO nanoparticles (ZnO NPs) using Cucurbita pepo L. seed extract and explored their multifunctional properties such as anti-corrosion, photocatalytic, and adsorption capabilities. The synthesized ZnO NPs were characterized by Fourier-transform infrared spectroscopy (FTIR) to identify their functional groups, thermogravimetric analysis (TGA) to assess their thermal stability, transmission electron microscopy (TEM), and scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX) to determine their size, morphology, and elemental composition. The characterization of biofabricated ZnO NPs revealed an average particle size of 32.88 nm; however, SEM displayed a tendency for the particles to agglomerate. Furthermore, the X-ray diffraction (XRD) and EDX analysis confirmed the NPs as ZnO, matching patterns reported in the literature. In this study, the potential of the biogenic ZnO NPs was explored for multifunctional applications. Zinc oxide nanoparticles exhibited a higher capacity for adsorbing hydrogen sulfide (H2S) compared to bulk zinc oxide, mostly because of their larger surface area. In addition, electrochemical studies demonstrated a substantial enhancement in the corrosion resistance of mild steel in a 1.0 M HCl solution. ZnO NPs also demonstrated remarkable photodegradation effectiveness, reducing 75% of methyl orange in 60 min under sun-light irradiation. This implies that they could be used to remediate organic pollutants (organic dyes) from wastewater.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141815517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, we synthesized spinel high-entropy oxide (HEO) (Cr0.2Mn0.2Co0.2Ni0.2Zn0.2)3O4 nanoparticles by a simple solution combustion method. These particles were investigated for their performance as anodes in lithium-ion batteries. The reversible capacity is 132 mAh·g−1 after 100 cycles at a current density of 100 mA·g−1, 107 mAh·g−1 after 1000 cycles at a current density of 1 A g−1, and 96 mAh·g−1 rate capacity at a high current density of 2 A g−1. The outstanding cycle stability under high current densities and remarkable rate performance can be attributed to the stable structure originating from the high entropy of the material.
{"title":"A Novel Spinel High-Entropy Oxide (Cr0.2Mn0.2Co0.2Ni0.2Zn0.2)3O4 as Anode Material for Lithium-Ion Batteries","authors":"Changqing Jin, Yulong Wang, Haobin Dong, Yongxing Wei, Ruihua Nan, Zengyun Jian, Zhong Yang, Qingping Ding","doi":"10.3390/inorganics12070198","DOIUrl":"https://doi.org/10.3390/inorganics12070198","url":null,"abstract":"In this study, we synthesized spinel high-entropy oxide (HEO) (Cr0.2Mn0.2Co0.2Ni0.2Zn0.2)3O4 nanoparticles by a simple solution combustion method. These particles were investigated for their performance as anodes in lithium-ion batteries. The reversible capacity is 132 mAh·g−1 after 100 cycles at a current density of 100 mA·g−1, 107 mAh·g−1 after 1000 cycles at a current density of 1 A g−1, and 96 mAh·g−1 rate capacity at a high current density of 2 A g−1. The outstanding cycle stability under high current densities and remarkable rate performance can be attributed to the stable structure originating from the high entropy of the material.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141818480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-21DOI: 10.3390/inorganics12070197
Melina Michailidis, John T. Leman, P. J. Bonitatibus
UV-activated catalytic hydrosilation is a low-temperature crosslinking process that has attracted attention for its high efficiency and lower energy demand relative to thermal curing. In this study, formulations comprising industrially relevant model silanes and Pt photocatalysts trimethyl(methylcyclopentadienyl)platinum(IV) and trimethyl(pentamethylcyclopentadienyl)platinum(IV) (MeCpPtMe3 and Cp*PtMe3, respectively) were prepared with and without a photosensitizer (PS) and assessed for catalytic performance by a novel strategy. Photopolymerizations were initiated using different wavelengths from LEDs and monitored in real-time using an Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) “well” strategy to track the degree of cure in ultra-thin films by consumption of hydride via the disappearance of the Si-H bending absorption band at 915 cm−1. Irradiation of formulations with 365 nm excitation showed higher conversions relative to 400 nm light and improvements to calculated initial reaction rates by incorporation of a PS suggested increased sensitization to 365 nm irradiation. To the best of our knowledge, this is the first study to report catalytic performance, electronic absorption spectroscopic data, and the crystal structure of Cp*PtMe3.
{"title":"Novel Strategy to Evaluate Platinum Photocatalysts for Hydrosilation-Curable Silicones","authors":"Melina Michailidis, John T. Leman, P. J. Bonitatibus","doi":"10.3390/inorganics12070197","DOIUrl":"https://doi.org/10.3390/inorganics12070197","url":null,"abstract":"UV-activated catalytic hydrosilation is a low-temperature crosslinking process that has attracted attention for its high efficiency and lower energy demand relative to thermal curing. In this study, formulations comprising industrially relevant model silanes and Pt photocatalysts trimethyl(methylcyclopentadienyl)platinum(IV) and trimethyl(pentamethylcyclopentadienyl)platinum(IV) (MeCpPtMe3 and Cp*PtMe3, respectively) were prepared with and without a photosensitizer (PS) and assessed for catalytic performance by a novel strategy. Photopolymerizations were initiated using different wavelengths from LEDs and monitored in real-time using an Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) “well” strategy to track the degree of cure in ultra-thin films by consumption of hydride via the disappearance of the Si-H bending absorption band at 915 cm−1. Irradiation of formulations with 365 nm excitation showed higher conversions relative to 400 nm light and improvements to calculated initial reaction rates by incorporation of a PS suggested increased sensitization to 365 nm irradiation. To the best of our knowledge, this is the first study to report catalytic performance, electronic absorption spectroscopic data, and the crystal structure of Cp*PtMe3.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141818521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-18DOI: 10.3390/inorganics12070194
T. Cândido, Mariana Mazzo Quintanilha, Bianca Alves Schimitd, D. A. Simoni, D. H. Nakahata, Raphael Enoque Ferraz de Paiva, Igor Henrique Cerqueira, Flavia Resende, João Ernesto Carvalho, A. L. T. G. Ruiz, Carmen Silvia Passos Lima, P. Corbi
Platinum(II) and palladium(II) complexes have been investigated as potential anticancer drugs since the serendipitous discovery of the antineoplastic activities of cisplatin in the 1960s. Skin cancer is considered the most common malignant neoplasm that affects humans, and melanoma is the most lethal type of skin cancer. Surgical excision is the main form of treatment, which also may include radiotherapy, systemic chemotherapy, and immunotherapy. In this work, new insights concerning the structural characterization and in vitro anti-proliferative activity of the palladium(II) complex with the amino acid deoxyalliin (Pd-sac) against a panel of thirteen human tumor cells, with emphasis on skin cancer cell lines, are presented. The composition of the complex was confirmed by elemental analysis as [Pd(C6H10NO2S)2]. The structure of the complex was elucidated for the first time by a single-crystal X-ray diffraction technique. Each deoxyalliin molecule coordinates in a bidentate N,S-mode to palladium(II) in a trans-configuration analogous to the platinum(II) deoxyalliin complex early reported. As the main result, the Pd-sac complex showed a selective anti-proliferative activity against melanoma (UACC-62, TGI = 63.5 µM), while both deoxyalliin and K2PdCl4 were inactive against all cell lines. Moreover, Pd-sac did not affect the proliferation of non-tumorigenic keratinocytes (HaCaT, TGI > 586 µM) and was non-mutagenic in the Ames assay. The results open new perspectives for in vivo studies concerning the application of the Pd-sac complex in the treatment of melanoma.
{"title":"Crystal Structure and Anti-Proliferative and Mutagenic Evaluation of the Palladium(II) Complex of Deoxyalliin","authors":"T. Cândido, Mariana Mazzo Quintanilha, Bianca Alves Schimitd, D. A. Simoni, D. H. Nakahata, Raphael Enoque Ferraz de Paiva, Igor Henrique Cerqueira, Flavia Resende, João Ernesto Carvalho, A. L. T. G. Ruiz, Carmen Silvia Passos Lima, P. Corbi","doi":"10.3390/inorganics12070194","DOIUrl":"https://doi.org/10.3390/inorganics12070194","url":null,"abstract":"Platinum(II) and palladium(II) complexes have been investigated as potential anticancer drugs since the serendipitous discovery of the antineoplastic activities of cisplatin in the 1960s. Skin cancer is considered the most common malignant neoplasm that affects humans, and melanoma is the most lethal type of skin cancer. Surgical excision is the main form of treatment, which also may include radiotherapy, systemic chemotherapy, and immunotherapy. In this work, new insights concerning the structural characterization and in vitro anti-proliferative activity of the palladium(II) complex with the amino acid deoxyalliin (Pd-sac) against a panel of thirteen human tumor cells, with emphasis on skin cancer cell lines, are presented. The composition of the complex was confirmed by elemental analysis as [Pd(C6H10NO2S)2]. The structure of the complex was elucidated for the first time by a single-crystal X-ray diffraction technique. Each deoxyalliin molecule coordinates in a bidentate N,S-mode to palladium(II) in a trans-configuration analogous to the platinum(II) deoxyalliin complex early reported. As the main result, the Pd-sac complex showed a selective anti-proliferative activity against melanoma (UACC-62, TGI = 63.5 µM), while both deoxyalliin and K2PdCl4 were inactive against all cell lines. Moreover, Pd-sac did not affect the proliferation of non-tumorigenic keratinocytes (HaCaT, TGI > 586 µM) and was non-mutagenic in the Ames assay. The results open new perspectives for in vivo studies concerning the application of the Pd-sac complex in the treatment of melanoma.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141825805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-18DOI: 10.3390/inorganics12070196
Z. Slanina, F. Uhlík, Takeshi Akasaka, Xing Lu, L. Adamowicz
The structure and energetics of the clusterfullerene La2C2@D5(450)-C100 are calculated at the B3LYP/6-31G*∼SDD level (including counterpoise correction for the basis set superposition error), and the observed features are confirmed. Its stability is explained by substantial energy gain connected with the encapsulation, viz. 140 kcal/mol per atom of the encapsulate, actually higher than previously found for comparable systems.
{"title":"La2C2@D5(450)-C100: Calculated High Energy Gain in Encapsulation","authors":"Z. Slanina, F. Uhlík, Takeshi Akasaka, Xing Lu, L. Adamowicz","doi":"10.3390/inorganics12070196","DOIUrl":"https://doi.org/10.3390/inorganics12070196","url":null,"abstract":"The structure and energetics of the clusterfullerene La2C2@D5(450)-C100 are calculated at the B3LYP/6-31G*∼SDD level (including counterpoise correction for the basis set superposition error), and the observed features are confirmed. Its stability is explained by substantial energy gain connected with the encapsulation, viz. 140 kcal/mol per atom of the encapsulate, actually higher than previously found for comparable systems.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":null,"pages":null},"PeriodicalIF":3.1,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141825718","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-18DOI: 10.3390/inorganics12070195
Monika Kovačević, S. Roca, D. Jadreško, Jasna Mrvčić, Karla Hanousek Čiča, M. Čakić Semenčić, Lidija Barišić
The incorporation of different ferrocene scaffolds into the peptide sequences induces the formation of hydrogen-bond-based secondary structural elements that are frequently observed in natural peptides and proteins. There are three simple ferrocene scaffolds for conjugation with amino acids and peptides that serve as templates for ferrocene peptidomimetics, namely ferrocene-1,1′-dicarboxylic acid (Fcd, I), 1′-aminoferrocene-1-carboxylic acid (Fca, III), and ferrocene-1,1′-diamine (Fcda, V). Here, we have investigated their ability to induce the turn structure upon conjugation with Val, Leu, and Phe. Furthermore, we also wanted to determine whether the branched side chains of Val, Leu, and Phe interfere with intramolecular hydrogen bonding (IHB). For these purposes, we performed a detailed spectroscopic analysis by measuring the concentration, temperature, and solvent dependence of the IR, NMR, and CD spectra. The effect of the different ferrocene scaffolds on the antioxidant activity of the prepared peptides was tested using the DPPH and ABTS methods, and was further rationalized using electrochemical measurements. It was found that the ferrocene scaffold has the greatest influence on the hydrogen bonding pattern, while the influence of the side branches of the amino acids is less relevant.
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