mole

Halogen bonding for molecular recognition: new developments in materials and biological sciences

Chem. Commun., 2020, 56,4970-4981
DOI: 10.1039/D0CC00841A, Highlight
Gilles Berger, Pierre Frangville, Franck Meyer
This review highlights recent developments of halogen bonding in materials and biological sciences with a short discussion on the nature of the interaction.
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mole

Facile construction of double network cross-linked luminescent supramolecular elastomer from hydrosilylation and pillar[5]arene host–guest recognition

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC02214D, Communication
Rong Fu, Junying Zhang, Shaojie Liu, Xing-Dong XU, Shengyu Feng
Reticulated copolymer hosts pillar[5]arene crosslinked with poly(dimethylsiloxane) (PDMS) were synthesized for the facile construction of double network crosslinked elastomer upon noncovalently cross-linking with tetraphenyethylene (TPE)-based tetratopic guests through host-guest interactions....
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mole

Photo-regulated supramolecular star with a pillar[6]arene-coated metal-organic polyhedron (MOP) core

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC00536C, Communication
Xiang Hao, ZeJian Leng, Dan Sun, Feng Peng, Akram Yasin
We herein report a 12-armed photo-responsive supramolecular star centered by a pillar[6]arene-coated M6L12 metal-organic polyhedron (MOP) via core-first approach.
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mole

A combined viscosity-restricted intramolecular motion and mitochondrial targeting leads to selective tumor visualization

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC02943B, Communication
Le Yu, Jun Feng Zhang, Mingle Li, Dewei Jiang, Ying Zhou, Peter Verwilst, Jong Seung Kim
We report a novel fluorescent molecular conjugate V-M1 enabling an accurate visualization of tumor tissues. The emission wavelength of V-M1 exceeds 650 nm, well within the near-infrared therapeutic window. Tumor...
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mole

Electrospray Ionization: an efficient approach to deposit polymetallic molecular switches onto gold surfaces

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC01906B, Communication
Amina Benchohra, Christophe Méthivier, david kreher, Jessem Landoulsi, rodrigue lescouezec
Electrospray ionization (EI) deposition is proven efficient in obtaining monolayers of a polymetallic charge transfer complex onto gold surfaces. The molecule’s integrity is monitored by PM-IRRAS and XPS. This approach...
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mole

Single molecule magnet behaviour in a square planar S = 1/2 Co(II) complex and spin-state assignment of multiple relaxation modes

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC01854F, Communication
Indrani Bhowmick, David Washburn Shaffer, Jenny Y Yang, Matthew Shores
We report the first example of field-induced single molecule magnet (SMM) behaviour in a square-planar S = ½ Co(II) pincer complex [(PNNNP)CoBr]Br (2). The related five-coordinate complexes [(PCNCP)CoBr2] (1) and...
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mole

Helicity of a polyacetylene directed by molecular recognition of biscalixarene and fullerene

Chem. Commun., 2020, Accepted Manuscript
DOI: 10.1039/D0CC02506B, Communication
Takehiro Hirao, Yoshiki Iwabe, Naoyuki Hisano, Takeharu HAINO
Chiral biscalixarenes and a C60-appended polyphenylacetylene have been synthesized. The chiral biscalixarene encapsulated the C60 unit of the phenylpolyacetylene, which induced the preferred helicity of the polyacetylene.
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mole

An African philosophy of personhood, morality, and politics / Motsamai Molefe

Dewey Library - BD450.M65 2019




mole

Outstanding Reviewers for Molecular Systems Design & Engineering in 2019

Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME90015J, Editorial

We would like to take this opportunity to highlight the Outstanding Reviewers for Molecular Systems Design & Engineering in 2019, as selected by the editorial team for their significant contribution to the journal.
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mole

Competitive hydrogen bonding in supramolecular polymerizations of tribenzylbenzene-1,3,5-tricarboxamides

Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME00030B, Paper
Mathijs F. J. Mabesoone, Sinan Kardas, Héctor Soria-Carrera, Joaquín Barberá, Jesús M. de la Fuente, Anja R. A. Palmans, Mathieu Fossépré, Mathieu Surin, Rafael Martín-Rapún
By combining experiments and molecular modelling we elucidate the role of competitive hydrogen bonding on the supramolecular behavior of tris(alkoxybenzyl)benzene-1,3,5-tricarboxamides.
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mole

Connecting molecular mechanisms of biofilm formation and functional biomaterials

Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME00001A, Perspective
Samuel B. Lum, Robert Osgood
Biofilms are arguably the root cause of most human infections, imposing a high level of public health concern. Exploring the molecular pathogenesis on material interfaces is essential to improving future medical devices.
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mole

Introduction to molecular engineering for water technologies

Mol. Syst. Des. Eng., 2020, Advance Article
DOI: 10.1039/D0ME90016H, Editorial
Seth B. Darling, Hao-Cheng Yang
Guest Editors Seth Darling and Hao-Cheng Yang introduce the Molecular Systems Design & Engineering themed collection on molecular engineering for water technologies.
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mole

Sensing the polar molecules MH3 (M = N, P, or As) with a Janus NbTeSe monolayer

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01022G, Paper
Open Access
Xiaoyong Yang, Deobrat Singh, Zhitong Xu, Rajeev Ahuja
The unique intrinsic electric field and prominent physical and chemical properties of Janus TMDs have attracted extensive attention for device applications.
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mole

Effect of number and different types of proton donors on excited-state intramolecular single and double proton transfer in bipyridine derivatives: theoretical insights

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01304H, Paper
Komsun Chaihan, Nawee Kungwan
Intra-HBs are strengthened upon photoexcitation, confirmed by red-shift in vibrational mode and topology analysis. Number and type of donors result in difference in photophysical properties. Occurrence of ESIPT depends on barrier and reaction energy.
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mole

The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01440K, Paper
Andrea S. Mac Cormack, Verónica M. Busch, M. Laura Japas, Lisandro Giovanetti, Florencia Di Salvo, Pablo H. Di Chenna
Vicinal di-halo substituents have a determinant effect on the supramolecular self-assembly and properties of aromatic physical gelators with application as soft templates.
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mole

Proton conduction in two Cu/Zn dimer-based hydrogen-bonded supramolecular frameworks from imidazole multi-carboxylate

New J. Chem., 2020, Advance Article
DOI: 10.1039/D0NJ01189D, Paper
Qingxu Wang, Zhejun Ye, Guoqing Shi, Kaimeng Guo, Gang Li
At 98% RH and 100 °C, two dimer-based HSFs show the best σ values of 3.13 × 10−4 S cm−1 for 1 and 0.55 × 10−4 S cm−1 for 2, which can be compared to the values of reported HSFs.
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mole

Conjugated Small Organic Molecules: Synthesis and Characterization of 4- Arylpyrazole-decorated Dibenzothiophenes

New J. Chem., 2020, Accepted Manuscript
DOI: 10.1039/D0NJ01887B, Paper
M. Bhanuchandra, Satyajit Panda, Ram Singh Jat, Amir Fayaz, Jony Saha, Ramalingam Thirumoorthi , Tapta Kanchan Roy
4-Arylpyrazole-decorated dibenzothiophenes have been synthesized. The synthesis involves the treatment of 2,8-dibromodibenzothiophene with pyrazole under Ullmann-type amination conditions for the dual C-N bond formation. The selective bromination of the resulting...
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mole

[ASAP] Structural and Biological Basis of Small Molecule Inhibition of <italic toggle="yes">Escherichia coli</italic> LpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis

ACS Infectious Diseases
DOI: 10.1021/acsinfecdis.9b00127




mole

[ASAP] Small Molecule Carboxylates Inhibit Metallo-ß-lactamases and Resensitize Carbapenem-Resistant Bacteria to Meropenem

ACS Infectious Diseases
DOI: 10.1021/acsinfecdis.9b00459




mole

Formation of Fe(III)–As(V) complexes: effect on the solubility of ferric hydroxide precipitates and molecular structural identification

Environ. Sci.: Nano, 2020, Advance Article
DOI: 10.1039/D0EN00024H, Paper
Qiantao Shi, George E. Sterbinsky, Shujuan Zhang, Christos Christodoulatos, George P. Korfiatis, Xiaoguang Meng
Soluble Fe(III)–As(V) complexes were found at both acidic and neutral conditions, which significantly change the solubility of ferric oxides.
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mole

Chalcone single crystals with red emission and photodimerization-triggered hopping behavior: the substituent effect and molecular packing effect

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00404A, Communication
Xinrui He, Jian Zhao, Zeqing Tan, Jiaxin Zhao, Xiao Cheng, Chuanjian Zhou
Chalcone single crystals with distinctively different emission color and photoinduced mechanical response are designed and fabricated via fine-tuning the donor substituents.
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mole

Hydrogen-bonded metallosupramolecular helices composed of a nona-protonated spherical RhIII4ZnII4 cluster with twelve carboxylate arms

CrystEngComm, 2020, 22,2700-2704
DOI: 10.1039/D0CE00133C, Communication
Ukyo Yamashita, Nobuto Yoshinari, Rapheepraew Sodkhomkhum, Natthaya Meundaeng, Takumi Konno
Anion-controlled formation of hydrogen-bonded metallosupramolecular helices from a RhIII4ZnII4 polycarboxylate is reported.
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mole

Realization of rocksalt Zn1−xCdxO thin films with an optical band gap above 3.0 eV by molecular beam epitaxy

CrystEngComm, 2020, 22,2781-2787
DOI: 10.1039/C9CE02018G, Paper
Hyo Chang Jang, Katsuhiko Saito, Qixin Guo, Kin Man Yu, Wladek Walukiewicz, Tooru Tanaka
We have grown Zn1−xCdxO (ZnCdO) thin films by molecular beam epitaxy on α-Al2O3 (0001) substrates across the full composition range of 0 ≤ x ≤ 1. A large optical gap of 3.0 eV is obtained in rocksalt-ZnCdO with a low resistivity and high mobility.
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mole

Machine learning methods to predict the crystallization propensity of small organic molecules

CrystEngComm, 2020, 22,2817-2826
DOI: 10.1039/D0CE00070A, Paper
Florbela Pereira
Machine learning algorithms were explored for the prediction of the crystallization propensity based on molecular descriptors and fingerprints generated from 2D chemical structures and 3D chemical structures optimized with empirical methods.
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mole

Supramolecular association of M2+⋯π induced by different electrostatic properties using naphthyl substituted β-diketonate complexes (metal = Cu, Pd, Pt)

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00416B, Communication
Takumi Kusakawa, Takayuki Goto, Akiko Hori
Expanded π-conjugated coordination complexes, [M(L2)2] (M = Cu2+, Pd2+, Pt2+; L2 = dinaphthoylmethanido), were prepared and their unique electron contributions and electrophile/nucleophile characteristics were found due to the supramolecular associations.
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mole

Role of Surface Phenomena on the Reaction of Molecular Solids: the Diels-Alder Reaction on Pentacene

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00269K, Paper
Selma Piranej, Michael A. W. Shelhart Sayers, Gregory J. Deye, Sergey N. Maximoff, Jonathan P. Hopwood, Haejun Park, Jean G. Slavsky, Jacob Ciszek
Reactivity trends for molecular solids cannot be explained exclusively through topochemical phenomenon (i.e. diffusivity, reaction cavities) or electronic structure of the molecules. As an example of this class, Diels-Alder reactions...
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mole

Polymorph induced diversity of photomechanical motions of molecular crystals

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00311E, Paper
Lei Gao, Yunhui Hao, Xiunan Zhang, Xin Huang, Ting Wang, Hongxun Hao
Photomechanical motions of the polymorphs of trans-4,4'-azopyridine are distinct under the influence of different molecular packing and intermolecular interactions.
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mole

Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations

CrystEngComm, 2020, 22,2889-2894
DOI: 10.1039/D0CE00397B, Communication
Open Access
Peng Yang, Buthainah Alshankiti, Niveen M. Khashab
Intrinsically porous molecular building blocks are used for the rational design and construction of molecular-level controlled porous materials.
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mole

Pseudosymmetric layers in high-Z' and P1 structures of organic molecules

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00302F, Paper
Carolyn Pratt Brock
Layers having obvious approximate symmetry higher than that of the overall 3-D crystal are present in 20–25% of the Z' > 4 and P1 organic structures archived in the Cambridge Structural Database. In some structures different types of layers alternate.
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mole

A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00368A, Paper
Ling-Yang Wang, Yueming Yu, Ming-Chao Yu, Yan-Tuan Li, Zhi-Yong Wu, Cui-Wei Yan
The first molecular salt concurrently combining antibacterial drug sulfathiazole (SFZ) and antiviral constituent amantadine (ATD) is designed and successfully synthesized via salification strategy. The precise structure of the newly obtained...
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mole

Molecular diagnostics : current research and applications / edited by Jim F. Huggett and Justin O'Grady




mole

Manual of molecular and clinical laboratory immunology / edited by Barbara Detrick, John L. Schmitz, Robert G. Hamilton




mole

Diagnostic molecular pathology : a guide to applied molecular testing / edited by William B. Coleman, PhD, Gregory J. Tsongalis, PhD, HCLD, CC




mole

Tietz fundamentals of clinical chemistry and molecular diagnostics / Carl A. Burtis, David E. Bruns ; consulting editor Barbara G. Sawyer

Burtis, Carl A




mole

Molecular imaging : an introduction / edited by Hossein Jadvar (Department of Radiology, Keck School of Medicine, University of Southern California, Los Angeles, CA), Heather Jacene (Department of Radiology, Brigham and Women's Hospital, Harvard Medic




mole

Metallic glass-based nanocomposites: molecular dynamics study of properties / Sumit Sharma

Online Resource




mole

Organic molecular solids: properties and applications / edited by William Jones

Online Resource




mole

Statistical mechanics of liquids and solutions: intermolecular forces, structure and surface interactions.

Online Resource




mole

High-entropy materials, ultra-strong molecules, and nanoelectronics: emerging capabilities and research objectives ; proceedings of a workshop / Linda Casola, rapporteur ; Defense Materials Manufacturing and Infrastructure Standing Committee, National Mat

Online Resource




mole

Cop held for molesting colleague on duty

A Kolkata police constable has been arrested for allegedly molesting a woman colleague on duty.




mole

Woman S-I alleges molestation by senior cop

A woman sub-inspector of police has alleged that she was molested by the officer-in-charge of Ballygunge police station in the metropolis here.




mole

Girl molested in Gurugram metro station

The Gurugram Police registered an FIR against an unknown youth for allegedly molesting a girl in Huda City Centre metro station on Tuesday.




mole

Molecular motors in bionanotechnology / James Youell, Keith Firman

Hayden Library - TP248.25.N35 Y68 2013




mole

Study on the ArI-catalyzed intramolecular oxy-cyclization of 2-alkenylbenzamides to benzoiminolactones

Org. Biomol. Chem., 2020, Advance Article
DOI: 10.1039/D0OB00612B, Communication
Huixia Liu, Xiaojun Deng, Xie Huang, Nan Ji, Wei He
A metal-free synthetic method toward the preparation of benzoiminolactones through oxy-cyclization of 2-alkenylbenzamides mediated by a catalyst/oxidant (ArI/mCPBA) system was developed.
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mole

Controlling the liberation rate of the in situ release of a chemical fuel for the operationally autonomous motions of molecular machines

Org. Biomol. Chem., 2020, Advance Article
DOI: 10.1039/D0OB00669F, Paper
Chiara Biagini, Giorgio Capocasa, Daniele Del Giudice, Valerio Cataldi, Luigi Mandolini, Stefano Di Stefano
Aminolysis of the anhydride of 2-cyano-2-phenylpropanoic acid can be employed to conveniently regulate the liberation rate of the related acid which, in turn, can be used as a fuel for acid–base operated molecular machines.
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mole

Man arrested for molesting Finnish woman in Jaipur

A person has been arrested in Jaipur for allegedly robbing and molesting a Finnish woman at a bar cum restaurant, police said.




mole

Hindu guru convicted of molesting girls in US

An octogenarian Hindu religious leader, head of a Hindu ashram, one of the largest temples in the US, has been convicted of molesting two young girls.




mole

Hindu guru gets 14 years prison for sexual molestation in US

Absconding Indian godman Prakashanand Saraswati, also known as Shree Swamiji, has been sentenced to 14 years in prison and fined USD 10,000.




mole

Biochemical and biophysical roles of cell surface molecules / Kausik Chattopadhyay, Subhash C. Basu, editor

Online Resource




mole

Advances in Molecular Techniques / Rakesh S. Sengar, Amit Kumar, Reshu Chaudhary, Ashu Singh

Online Resource