Unraveling the collinearity in short-range order parameters for lattice configurations arising from topological constraints.

In multicomponent lattice problems, for example, in alloys and at crystalline surfaces and interfaces, atomic arrangements exhibit spatial correlations that dictate the kinetic and thermodynamic phase behavior. These correlations emerge from interparticle interactions and are frequently reported in terms of the short-range order (SRO) parameter. Expressed usually in terms of pair distributions and other cluster probabilities, the SRO parameter gives the likelihood of finding atoms/molecules of a particular type in the vicinity of other atoms. This study focuses on fundamental constraints involving the SRO parameters that are imposed by the underlying lattice topology. Using a data-driven approach, we uncover the interrelationships between different SRO parameters (e.g., pairs, triplets, and quadruplets) on a lattice. The main finding is that while some SRO parameters are independent, the remaining are collinear, i.e., the latter are dictated by the independent ones through linear relationships. A kinetic and thermodynamic modeling framework based on these constraints is introduced.

Identification of sources of coarse mode aerosol particles (PM10) using ATR-FTIR and SEM-EDX spectroscopy over the Himalayan Region of India.

This study attempts to examine the morphological, elemental and physical characteristics of PM10 over the Indian Himalayan Region (IHR) using FTIR and scanning electron microscopy-energy dispersive X-ray (SEM-EDX) analysis. The study aimed at source identification of PM10 by exploring the inorganic ions, organic functional groups, morphology and elemental characteristics. The pollution load of PM10 was estimated as 63 ± 22 µg m-3; 53 ± 16 µg m-3; 67 ± 26 µg m-3 and 55 ± 11 µg m-3 over Mohal-Kullu, Almora, Nainital and Darjeeling, respectively. ATR-FTIR spectrum analysis revealed the existence of inorganic ions (SiO44-, TiO2, SO42-, SO3-, NO3-, NO2-, CO32-, HCO3-, NH4+) and organic functional groups (C-C, C-H, C=C, C≡C, C=O, N-H, C≡N, C=N, O-H, cyclic rings, aromatic compounds and some heterogeneous groups) in PM10 which may arise from geogenic, biogenic and anthropogenic sources. The morphological and elemental characterization was performed by SEM-EDX, inferring for geogenic origin (Al, Na, K, Ca, Mg and Fe) due to the presence of different morphologies (irregular, spherical, cluster, sheet-like solid deposition and columnar). In contrast, particles having biogenic and anthropogenic origins (K, S and Ba) have primarily spherical with few irregular particles at all the study sites. Also, the statistical analysis ANOVA depicts that among all the detected elements, Na, Al, Si, S and K are site-specific in nature as their mean of aw% significantly varied for all the sites. The trajectory analysis revealed that the Uttarakhand, Jammu and Kashmir, the Thar Desert, Himachal Pradesh, Pakistan, Afghanistan, Nepal, Sikkim, the Indo-Gangetic Plain (IGP) and the Bay of Bengal (BoB) contribute to the increased loading of atmospheric pollutants in various locations within the IHR.

A comparative study of diaryl urea molecules with and without sulfonamide group on Carbonic anhydrase IX and XII inhibition and its consequence on breast cancer cells.

To investigate the intrinsic relation between carbonic anhydrase inhibition and anticancer activity, we have prepared four sets of diaryl urea molecules and tested for the inhibition of hCA-IX and XII on two breast cancer cell lines. Among 21 compounds, compound J2 (with -SO2NH2 group) and J16 (without -SO2NH2 group) showed the best activity under normoxic and hypoxic conditions. The IC50 values of J16 for MDA-MB-231 and MCF-7 cells, under normoxic condition were 6.3 and 3.7 µM respectively, which are 1.9/3.3 and 15.8 times better than U-4-Nitro and SLC-0111 respectively. Whereas, under the hypoxic condition the corresponding values were 12.4 and 1.1 µM (MDA-MB-231 and MCF-7 cells respectively), which are equal/8 times better than U-4-Nitro. Whereas, J2 showed better IC50 value than U-4-Nitro (6.3 µM) under normoxic condition for both MDA-MB-231 and MCF-7 cells (1.9/2.7 times). Compound J2 inhibits the activity of hCA-IX and XII in nanomolar concentration [Ki values 4.09 and 9.10 nM respectively with selectivity ratio of 1.8 and 0.8 with hCA-II]. The crystal structure and modelling studies demonstrates that the inhibition of CAs arises due to the blocking of the CO2 coordination site of zinc in its catalytic domain. However, J16 was found to be unable to inhibit the activity of hCAs (Ki > 89000 nM). qPCR and western blot analysis showed a significant reduction (1.5 to 20 fold) of the transcription and expression of HIF1A, CA9 and CA12 genes in presence of J2 and J16. Both J2 and J16 found to reduce accumulation of HIF-1α protein by inhibiting the chaperone activity of hHSP70 with IC50 values of 19.4 and 15.3 µM respectively. Perturbation of the hCA-IX and XII activity by binding at active site or by reduced expression or by both leads to the decrease of intracellular pH, which resulted in concomitant increase of reactive oxygen species by 2.6/2.0 (MCF-7) and 2.9/1.8 (MDA-MB-231) fold for J2/J16. Increased cyclin D1 expression in presence of J2 and J16 was presumed to be indirectly responsible for the apoptosis of the cancer cells. Expression of the other apoptosis markers Bcl-2, Bim, caspase 9 and caspase 3 substantiated the apoptosis mechanism. However, decreased transcription/expression of HIF1A/HIF-1α and hCA-IX/XII also implies the inhibition of the extracellular signal-regulated kinase pathway by J2 and J16.

Acidity and oxidative potential of atmospheric aerosols over a remote mangrove ecosystem during the advection of anthropogenic plumes.

To investigate the acidity and the water-soluble oxidative potential of PM10, during the continental biomass-burning plume transport, a three-year (2018-2020) winter-time campaign was conducted over a pristine island (21.35°N, 88.32°E) of Sundarban mangrove ecosystem situated at the shore of Bay of Bengal. The average PM10 concentration over Sundarban was found to be 98.3 ± 22.2 µg m-3 for the entire study period with a high fraction of non-sea-salt- SO42- and water-soluble organic carbons (WSOC) that originated from the regional solid fuel burning. The thermodynamic E-AIM(IV) model had estimated that the winter-time aerosols over Sundarban were acidic (pH:2.4 ± 0.6) and mainly governed by non-sea-salt-SO42-. The volume and mass normalized oxidative potential of PM10 was found to be 1.81 ± 0.40 nmol DTT min-1 m-3 and 18.4 ± 6.1 pmol DTT min-1 µg-1 respectively which are surprisingly higher than several urban atmospheres across the world including IGP. The acid-digested water-soluble transition metals (Cu, Mn) show higher influences in the oxidative potential (under high aerosol acidity) compared to the WSOC. The study revealed that the advection of regional solid fuel burning plume and associated non-sea-salt-SO42- is enhancing aerosol acidity and oxidative stress that in turn alters the intrinsic properties of aerosols over such marine ecosystems rich in ecology and bio-geochemistry.

Quantifying Disorder in a Protein by Mapping its Locally Correlated Structure and Kinetics.

Proteins under physiological conditions are inherently mobile and sample a vast array of structures. Consequently, the need arises, on the one hand, at a local level to determine the independent moving parts and their associated conformations and kinetics, and on the other hand, at a global level, to quantify the disorder in the full protein molecule. We present an approach that provides these quantities in the form of local kinetic network models, which are constructed by analyzing the molecular dynamics (MD) trajectories of the protein molecule. Entropies of independent parts of the molecule are quantified. The method outlined here, using the Trp-cage miniprotein prototype, offers a new tool to understand the dynamic structural changes that ultimately govern the functioning of a protein. The method is particularly suited to problems where there are subtle changes in the structure or dynamics at local levels, for example, due to ligand binding.

Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.

This research article explores the distinct TADF efficiency of three donor-acceptor based regio-isomers: DPAOCN (ortho-isomer), DPAMCN (meta-isomer), and DPAPCN (para-isomer). DPAPCN exhibits maximum TADF efficiency in both solution and solid-state with an impressive reverse inter-system crossing (RISC) rate of ∼106 s-1; the underlying cause being the minimum singlet-triplet splitting energy or ΔEST and maximum SOC (spin-orbit coupling) between the S1 & T1 states. Apart from TADF, differences in crystal packing of the regio-isomers result in intriguing bulk phase properties. DPAOCN, with its non-centrosymmetric P212121 space group and substantial crystal void volume, exhibits reversible tri-color mechanochromic luminescence behavior, while the meta and para isomers, due to their centrosymmetric packing and diminished crystal void volume, remain inert to mechanical pressure. Expanding the horizon of possibilities, the non-centrosymmetric nature of ortho-isomer further renders it an excellent SHG material, with a χ(2) value of 0.19 pm V-1 at 1220 nm and a laser-induced damage threshold (LIDT) value of 13.27 GW cm-2. Overall, a comprehensive investigation into the regio-isomers has been carried out, encompassing their TADF, SHG, and mechanochromic luminescent properties.

Thermodynamic calculations using reverse Monte Carlo: Simultaneously tuning multiple short-range order parameters for 2D lattice adsorption problem.

Lattice simulations are an important class of problems in crystalline solids, surface science, alloys, adsorption, absorption, separation, catalysis, to name a few. We describe a fast computational method for performing lattice thermodynamic calculations that is based on the use of the reverse Monte Carlo (RMC) technique and multiple short-range order (SRO) parameters. The approach is comparable in accuracy to the Metropolis Monte Carlo (MC) method. The equilibrium configuration is determined in 5-10 Newton-Raphson iterations by solving a system of coupled nonlinear algebraic SRO growth rate equations. This makes the RMC-based method computationally more efficient than MC, given that MC typically requires sampling of millions of configurations. The technique is applied to the interacting 2D adsorption problem. Unlike grand canonical MC, RMC is found to be adept at tackling geometric frustration, as it is able to quickly and correctly provide the ordered c(2 × 2) adlayer configuration for Cl adsorbed on a Cu (100) surface.

A visible light-driven direct synthesis of industrially relevant glutaric acid diesters from aldehydes.

A straightforward and practical method has been developed to access α-substituted glutaric diesters from acrylates and aldehydes using visible light, with Eosin Y facilitating hydrogen atom transfer (HAT) and subsequent Giese-type addition. Also, sunlight has been successfully used as an alternative sustainable light source. The method has also been explored to access substituted 4,5-dihydro-2H-pyridazinones, which have potential biological and industrial applications. Comprehensive mechanistic investigations have been carried out.

PM2.5 pollution exceeding Indian standard over a semi-urban region at eastern IGP: Chemistry, meteorological impact, and long-range transport.

A year-long study (January-December 2019) on the chemical characterization and meteorological impact on PM2.5 was conducted over a semi-urban station, Shyamnagar, in the easternmost part of the Indo-Gangetic Plains (IGP). PM2.5 concentrations (Mean = 81.69 ± 66.27 µgm-3; 7.10-272.74 µgm-3), the total carbonaceous aerosols (TCA) (Mean = 22.85 ± 24.95 µgm-3; 0.77-102.97 µgm-3) along with differential carbonaceous components like organic carbon (OC) (Mean = 11.28 ± 12.48 µgm-3; 0.48-53.01 µgm-3) and elemental carbon (EC) (Mean = 4.83 ± 5.28 µgm-3; 0.1-22.13 µgm-3) exhibited prominent seasonal variability with the highest concentrations during winter, followed by post-monsoon, pre-monsoon and lowest during monsoon. A similar seasonal variation was observed for the total water-soluble ionic species (Mean = 31.91 ± 20.12 µgm-3; 0.1-126.73 µgm-3). We observed that under the least favorable conditions (low ventilation coefficient), high PM2.5 pollution (exceeding Indian standard) was associated with a high increase in secondary components of PM2.5. Eastern, central and western parts of IGP, as well as Nepal, were the major long-distant source regions whereas the northern part of West Bengal and parts of Bangladesh were the major regional source region for high PM2.5 pollution over Shyamnagar. The ratios like char-EC/soot-EC, non-sea-K+/EC and non-sea-SO42-/EC strongly indicated the dominance of fossil fuel burning over biomass burning. Compared with other studies, we observed that the PM2.5 pollution over this semi-urban region was comparable (and even higher in some cases) with other parts of IGP. The high exceedance of PM2.5 over the Indian standard in Shyamnagar strongly demands an immediate initiation of systematic and regular based air pollution monitoring over semi-urban/non-urban regions in India, especially IGP, in addition to the polluted cities.

Reassessing the availability of crop residue as a bioenergy resource in India: A field-survey based study.

Second-generation bioenergy, a carbon neutral or negative renewable resource, is crucial to achieving India's net-zero emission targets. Crop residues are being targeted as a bioenergy resource as they are otherwise burned on-field, leading to significant pollutant emissions. But estimating their bioenergy potential is problematic because of broad assumptions about their surplus fractions. Here, we use comprehensive surveys and multivariate regression models to estimate the bioenergy potential of surplus crop residues in India. These are with high sub-national and crop disaggregation that can facilitate the development of efficient supply chain mechanisms for its widespread usage. The estimated potential for 2019 of 1313 PJ can increase the present bioenergy installed capacity by 82% but is likely insufficient alone to meet India's bioenergy targets. The shortage of crop residue for bioenergy, combined with the sustainability concerns raised by previous studies, imply a need to reassess the strategy for the use of this resource.

Investigation of sources and atmospheric transformation of carbonaceous aerosols from Shyamnagar, eastern Indo-Gangetic Plains: Insights from δ13C and carbon fractions.

This study reports the chemical characterization of the carbonaceous component of PM2.5 (particulate matter with aerodynamic diameter ≤2.5 µm) collected over a year-long campaign from a regional site in Shyamnagar, West Bengal, in the Indo-Gangetic Plains (IGP), India. The carbonaceous fractions (elemental and organic carbon), mass concentrations, and stable carbon isotopic composition (δ13C value) of aerosols were measured and utilized to characterize the sources and understand the atmospheric processing of aerosols. Cluster analysis, Potential Source Contribution Function (PSCF) modeling, and fire count data were analyzed to decipher the pattern of air masses, source contributions, and extent of burning activities. The PM2.5 mass concentrations were significantly higher during winter (168.3 ± 56.3 µg m-3) and post-monsoon (109.8 ± 59.1 µg m-3) compared to the monsoon (29.8 ± 10.7 µg m-3) and pre-monsoon (55.1 ± 23.0 µg m-3). Organic carbon (OC), elemental carbon (EC), and total carbon (TC) concentrations were also several factors higher during winter and post-monsoon compared to monsoon and pre-monsoon. The winter and post-monsoon experienced the impact of air masses from upwind IGP. On the other hand, long-range transported air masses from the South-West direction dominated during monsoon and pre-monsoon, which are also relatively cleaner periods. The average δ13C during post-monsoon and winter was ∼1‰ higher compared to monsoon and pre-monsoon. The vehicular exhaust and biomass/biofuel burning contributed dominantly in winter and post-monsoon. In comparison, lower δ13C in pre-monsoon and monsoon might be attributed to the dominance of biomass/biofuel combustion. Photochemical-induced aging of the anthropogenic aerosols resulted in a higher δ13C of TC in winter and post-monsoon, whereas the mixing of different local sources in pre-monsoon and monsoon resulted in lower δ13C values. These findings benefit policymakers in strategizing proper and effective management of biomass/biofuel burning in the IGP to minimize air pollution.

Chemically activated carbon preparation from natural rubber biosludge for the study of characterization, kinetics and isotherms, thermodynamics, reusability during Cr(VI) and methylene blue adsorption.

Alkaline leachate, dust generation, and foul smell during the stacking process of natural rubber biosludge (NRBS) can pollute surrounding water, soil, and air. In this study, natural rubber chemically activated carbon (NRCAC) has been synthesized for the first time from NRBS by pyrolysis using ZnCl2 at 700 °C for adsorptive removal of Cr(VI) and methylene blue (MB) from aqueous solutions. Both NRBS and NRCAC were characterized by X-ray fluorescence (XRF), X-ray diffraction (XRD), Fourier transform infrared (FTIR), scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS), Brunauer-Emmett-Teller (BET), and thermogravimetric analyzer (TGA). FTIR and SEM-EDS suggested significant functional and morphological transformations in NRCAC. Experimental investigations of different process parameters, such as pH, concentration, contact time, salt concentration, etc., were conducted to study their influences on adsorption. Adsorption and desorption kinetics followed a pseudo-second-order model, while adsorption equilibrium followed Liu isotherm. Maximum uptake calculated from the Liu model was 81.28 and 211.90 mg/g for Cr(VI) and MB, respectively. Thermodynamic analysis established spontaneous and endothermic adsorption. Up to five adsorption/desorption cycles were conducted using eluents such as 1 M NaOH and water for Cr(VI) and MB, respectively. Electrostatic attraction and ion-exchange favored Cr(VI)/MB adsorption, while hydrogen bonding and π-π stacking were significant in MB uptake. Overall findings suggest that NRBS (a renewable agro-industrial, abundant, and freely available) could be employed to synthesize biochar for adsorptive removal of wastewater containing Cr(VI)/MB.

A probabilistic microkinetic modeling framework for catalytic surface reactions.

We present a probabilistic microkinetic modeling (MKM) framework that incorporates the short-ranged order (SRO) evolution for adsorbed species (adspecies) on a catalyst surface. The resulting model consists of a system of ordinary differential equations. Adsorbate-adsorbate interactions, surface diffusion, adsorption, desorption, and catalytic reaction processes are included. Assuming that the adspecies ordering/arrangement is accurately described by the SRO parameters, we employ the reverse Monte Carlo (RMC) method to extract the relevant local environment probability distributions and pass them to the MKM. The reaction kinetics is faithfully captured as accurately as the kinetic Monte Carlo (KMC) method but with a computational time requirement of few seconds on a standard desktop computer. KMC, on the other hand, can require several days for the examples discussed. The framework presented here is expected to provide the basis for wider application of the RMC-MKM approach to problems in computational catalysis, electrocatalysis, and material science.

Morphology-Controlled Reststrahlen Band and Infrared Plasmon Polariton in GaN Nanostructures.

Due to ultrabright and stable blue light emission, GaN has emerged as one of the most famous semiconductors of the modern era, useful for light-emitting diodes, power electronics, and optoelectronic applications. Extending GaN's optical resonance from visible to mid- and-far-infrared spectral ranges will enable novel applications in many emerging technologies. Here we show hexagonal honeycomb-shaped GaN nanowall networks and vertically standing nanorods exhibiting morphology-dependent Reststrahlen band and plasmon polaritons that could be harnessed for infrared nanophotonics. Surface-induced dipoles at the edges and asperities in molecular beam epitaxy-deposited nanostructures lead to phonon absorption inside the Reststrahlen band, altering its shape from rectangular to right-trapezoidal. Excitation of such surface polariton modes provides a novel pathway to achieve far-infrared optical resonance in GaN. Additionally, surface defects in nanostructures lead to high carrier concentrations, resulting in tunable mid-infrared plasmon polaritons with high-quality factors. Demonstration of morphology-controlled Reststrahlen band and plasmon polaritons make GaN nanostructures attractive for infrared nanophotonics.

Enhancing cycle life and usable energy density of fast charging LiFePO4-graphite cell by regulating electrodes' lithium level.

Range anxiety is a primary concern among present-day electric vehicle (EV) owners, which could be curtailed by maximizing the driving range per charge or reducing the charging time of the lithium-ion battery (LIB) pack. Maximizing the driving range is a multifaceted task as charging-discharging the LIB up to 100% of its nominal capacity is limited by the cell chemistry (voltage window) and cell operating conditions. Our studies on commercial LiFePO4/graphite cells show that a cycle life of 4320 is achieved at 4C rate with 80% SOC-100% DOD combination (12 min charging time), which is the highest among the works reported with this cell chemistry. Complete utilization of electrodes' lithium during cycling resulted in the lowest cycle life of 956. This study demonstrates LIB charging-discharging protocol enabling longer driving range with quicker charging times. Besides, it might endow promising possibilities of future EV LIB packs with reduced size/weight and high safety.

A year-long study on PM2.5 and its carbonaceous components over eastern Himalaya in India: Contributions of local and transported fossil fuel and biomass burning during premonsoon.

A year-long (March 2019-February 2020) study on the characterization of fine mode carbonaceous aerosols has been conducted over a high altitude urban atmosphere, Darjeeling (27.01°N, 88.15°E, 2200 m asl) in eastern Himalaya. The fine mode aerosol (PM2.5; 41.7 ± 23.7 µgm-3), total carbonaceous aerosols (TCA; 19.8 ± 7.7 µgm-3), organic carbon (OC; 8.0 ± 3.9 µgm-3) and elemental carbon (EC; 2.0 ± 0.9 µgm-3) exhibited similar seasonal variability with the highest abundance during winter followed by premonsoon, postmonsoon and minimum in monsoon. The OC:EC varied over a range of 2.8-19.4 whereas the secondary organic carbon ranged between 1.9 and 17.1 µgm-3 respectively. Higher PM2.5 associated with higher winds and elevated mixing layer depth suggest a strong influence of regional and long-range transport. In addition to the usual morning and evening rush-hour peaks, the impact of low land plain regions driven by up-slope valley winds was observed for the carbonaceous components. A novel approach has been taken to find out the individual contributions from the local and transported fossil fuel, biomass burning, and biogenic sources to OC and EC during premonsoon. We observed that the local fossil fuel (43%) contributions dominated over the biomass burning (39%) for EC whereas the contributions of local biomass burning and the local fossil fuel were same (46%) for OC. EC exhibited a higher contribution (18%) from the regional/long-range transport compared to OC (8%). IGP and Nepal were found to be the maximum contributing long distant source regions for the carbonaceous aerosol loading over eastern Himalaya. Such individual source apportionment of carbonaceous aerosols over eastern Himalaya makes the study unique and first-ever of its kind and immensely helpful for building robust mitigation action plans.

Optimisation of momelotinib with improved potency and efficacy as pan-JAK inhibitor.

Dysregulated JAK-STAT signaling has been proven to be involved in several immune-mediated diseases. Several janus kinase (JAK) inhibitors have been approved for the treatment of various inflammatory and autoimmune diseases such as rheumatoid arthritis (RA), plaque psoriasis, psoriatic arthritis, inflammatory bowel disease (IBD). Here, we report the design, optimisation, synthesis and biological evaluation of momelotinib analogues (a pyrimidine based JAK inhibitor), to get pan-JAK inhibitors. Systematic structure activity relationship studies led to the discovery of compound 32, which potently inhibited JAK1, JAK2 and JAK3. The in vivo investigation indicated that compound 32 possessed favourable pharmacokinetic properties and displayed superior anti-inflammatory efficacy than momelotinib 1. Accordingly, compound 32 was advanced into preclinical development.

A critical evaluation of conventional kinetic and isotherm modeling for adsorptive removal of hexavalent chromium and methylene blue by natural rubber sludge-derived activated carbon and commercial activated carbon.

The adsorptive removal of Cr(VI) and methylene blue (MB) was studied in a batch reactor using activated carbon (RAC), prepared from natural rubber waste, along with the commercial activated carbon (CAC). Maximum uptake of Cr(VI) and MB by the RAC was 21 and 30 mg g-1, respectively, whereas the corresponding uptake by CAC was 145 and 224 mg g-1. The kinetics of adsorption, however, was found to be faster in RAC than CAC. Both adsorbents were characterized by XRD, FT-IR, and FESEM-EDS. The predictability of various kinetic models, including the Weber-Morris model, was adversely affected by linearization. A multi-linear plot of adsorbed concentration versus square root of time failed to justify the multi-resistance hypothesis of mass transfer. Experimental kinetic data matched well with four surface reactions and an intraparticle diffusion model but showed substantial deviation from the numerical solution of another Fickian model incorporating mass balance and Langmuir isotherm.

A Rare Case of Blood & Sweat: Hematohidrosis.

Hematohidrosis is an uncommon pathophysiological condition of sweating blood. A young lady with abrupt bleeding from the skin (since January 2017) was brought to the emergency. The bleeding was vanished after mopping with no site of injury, but it reappeared soon enough confirming its nature. Bleeding time (BT), clotting time (CT), and the prothrombin time (PT) was within normal limit. This patient is confirmed as a case of hematohidrosis by the method of exclusion and the presence of blood was finalized by benzidine test as well as biochemical and microscopic examination of it. Now, no treatment is available as per the latest pieces of evidence. Also, the cause of it is not known till date. Psychological anxiety is a predisposing cause for hematohidrosis.

Emergence of Aggregation Induced Emission (AIE), Room-Temperature Phosphorescence (RTP), and Multistimuli Response from a Single Organic Luminogen by Directed Structural Modification.

Multifunctional organic luminogens exhibiting simultaneous aggregation induced emission (AIE), room-temperature phosphorescence (RTP), and mechanochromism have recently attracted considerable attention owing to their potential applications in optoelectronics and bioimaging. However, a comprehensive correlation among these three distinguished properties is yet to be unveiled, which will help to decipher defined methodologies to design future generation multifunctional organic materials. Herein, we have demonstrated a route to obtain a multifunctional organic luminogen, starting from an ACQphore (TPANDI) by simple structural engineering. We have shown that a slight reduction in length of the planar acceptor moieties can effectively inhibit the undesirable π-π stacking interaction between molecules in the condensed state and thereby cause an ACQ to AIE type transformation from TPANDI to TPANMI and TPAPMI. Both TPANMI and TPAPMI exhibit RTP properties (even in ambient condition) because of the presence of a reasonably low singlet-triplet energy gap (ΔEST). In our study, these two luminogens were found to be mechano-inactive. Interestingly, an insertion of cyano-ethylene group and benzene linker in between the triphenylamine and phthalimide moieties introduced another luminogen TPACNPMI, which can simultaneously exhibit AIE, RTP, and mechanochromic properties.